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Chemical ID: 7104900
Chemical ID:
7104900
Name [?]:
N,N-diethyl-4-(pentylaminomethyl)aniline
SMILES [?]:
CCCCCNCc1ccc(cc1)N(CC)CC
InChi [?]:
InChI=1/C16H28N2/c1-4-7-8-13-17-14-15-9-11-16(12-10-15)18(5-2)6-3/h9-12,17H,4-8,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,18,2,15,17,3,4,9,13,10,12,5,7,8,11,6,14/E:(2,3)(5,6)(9,10)(11,12)/rA:18nCCCCCNCCCCCCCNCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H28N2 |
All Atoms: | 46 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1166 |
Area: | 503.373 |
Solvation: | -1.46767 |
Coulombic: | -17.3199 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 248.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.51 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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