Chemical ID: 4977481

CCCCCN1CCc2ccccc2C1
Chemical ID:
4977481
Name [?]:
2-pentyl-3,4-dihydro-1H-isoquinoline
SMILES [?]:
CCCCCN1CCc2ccccc2C1
InChi [?]:
InChI=1/C14H21N/c1-2-3-6-10-15-11-9-13-7-4-5-8-14(13)12-15/h4-5,7-8H,2-3,6,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,11,12,4,10,13,8,5,7,15,9,14,6/rA:15cCCCCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s6s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21N
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:9.05731
Area:406.557
Solvation:-1.10663
Coulombic:-7.41286
Bond Count [?]
All:16
Single:13
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:203.323
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.54
LogP (Chemaxon):3.52

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Descriptor Annotations

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