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Chemical ID: 4179034
Chemical ID:
4179034
Name [?]:
N,N-diethyl-N'-[(4-isopropylphenyl)methyl]-N'-methyl-ethane-1,2-diamine
SMILES [?]:
CCN(CC)CCN(C)Cc1ccc(cc1)C(C)C
InChi [?]:
InChI=1/C17H30N2/c1-6-19(7-2)13-12-18(5)14-16-8-10-17(11-9-16)15(3)4/h8-11,15H,6-7,12-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,5,18,19,9,2,4,12,16,13,15,7,6,10,17,11,14,8,3/E:(1,2)(3,4)(6,7)(8,9)(10,11)/rA:19cCCNCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H30N2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1825 |
Area: | 510.688 |
Solvation: | -1.58473 |
Coulombic: | -12.5178 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 262.434 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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