Chemical ID: 4743948

CCN(CC)Cc1c(c(c(c(c1C)C)C)C)C
Chemical ID:
4743948
Name [?]:
N-ethyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
SMILES [?]:
CCN(CC)Cc1c(c(c(c(c1C)C)C)C)C
InChi [?]:
InChI=1/C16H27N/c1-8-17(9-2)10-16-14(6)12(4)11(3)13(5)15(16)7/h8-10H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,5,15,14,16,13,17,2,4,6,10,11,9,12,8,7,3/E:(1,2)(4,5)(6,7)(8,9)(12,13)(14,15)/rA:17nCCNCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;d8;s9;d10;d7s11;s12;s11;s10;s9;s8;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H27N
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.51022
Area:427.027
Solvation:-1.16544
Coulombic:-5.86181
Bond Count [?]
All:17
Single:14
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:233.392
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.8
LogP (Chemaxon):4.95

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Descriptor Annotations

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