Chemical ID: 7109026

CC(C)c1ccc(cc1)CNC(C)(C)CC(C)(C)C
Chemical ID:
7109026
Name [?]:
N-[(4-isopropylphenyl)methyl]-2,4,4-trimethyl-pentan-2-amine
SMILES [?]:
CC(C)c1ccc(cc1)CNC(C)(C)CC(C)(C)C
InChi [?]:
InChI=1/C18H31N/c1-14(2)16-10-8-15(9-11-16)12-19-18(6,7)13-17(3,4)5/h8-11,14,19H,12-13H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,3,17,18,19,13,14,6,8,5,9,10,15,2,7,4,16,12,11/E:(1,2)(3,4,5)(6,7)(8,9)(10,11)/rA:19nCCCCCCCCCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s12;s12;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31N
All Atoms:50
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:11.1495
Area:482.22
Solvation:-0.905967
Coulombic:-12.3635
Bond Count [?]
All:19
Single:16
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:261.445
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:6.28
LogP (Chemaxon):5.23

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Descriptor Annotations

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