Chemical ID: 7109000

CCCCCNCc1ccc(cc1)C(C)C
Chemical ID:
7109000
Name [?]:
N-[(4-isopropylphenyl)methyl]pentan-1-amine
SMILES [?]:
CCCCCNCc1ccc(cc1)C(C)C
InChi [?]:
InChI=1/C15H25N/c1-4-5-6-11-16-12-14-7-9-15(10-8-14)13(2)3/h7-10,13,16H,4-6,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,16,2,3,4,9,13,10,12,5,7,14,8,11,6/E:(2,3)(7,8)(9,10)/rA:16nCCCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H25N
All Atoms:41
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:10.5467
Area:463.773
Solvation:-1.04757
Coulombic:-12.1334
Bond Count [?]
All:16
Single:13
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:219.366
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.86
LogP (Chemaxon):4.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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