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Chemical ID: 4951298
Chemical ID:
4951298
Name [?]:
4-(1,1-dimethylpropyl)-N,N-bis(3-phenylpropyl)aniline
SMILES [?]:
CCC(C)(C)c1ccc(cc1)N(CCCc2ccccc2)CCCc3ccccc3
InChi [?]:
InChI=1/C29H37N/c1-4-29(2,3)27-19-21-28(22-20-27)30(23-11-17-25-13-7-5-8-14-25)24-12-18-26-15-9-6-10-16-26/h5-10,13-16,19-22H,4,11-12,17-18,23-24H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,5,2,19,28,18,20,27,29,14,23,17,21,26,30,15,24,7,11,8,10,13,22,16,25,6,9,3,12/E:(2,3)(5,6)(7,8,9,10)(11,12)(13,14,15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/rA:30nCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s12;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H37N |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.8422 |
Area: | 705.181 |
Solvation: | -1.78737 |
Coulombic: | -13.0049 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 399.611 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 9.07 |
LogP (Chemaxon): | 9.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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