Chemical ID: 4682465

CCCC(CCCc1ccccc1)N
Chemical ID:
4682465
Name [?]:
1-phenylheptan-4-amine
SMILES [?]:
CCCC(CCCc1ccccc1)N
InChi [?]:
InChI=1/C13H21N/c1-2-7-13(14)11-6-10-12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,6,3,9,13,7,5,8,4,14/E:(4,5)(8,9)/rA:14cCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21N
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:9.38055
Area:411.603
Solvation:-0.90951
Coulombic:-15.4723
Bond Count [?]
All:14
Single:11
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:191.313
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.62
LogP (Chemaxon):3.49

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Descriptor Annotations

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