Chemical ID: 7123098

c1cc(ccc1C[NH+]2CCCCC2)N
Chemical ID:
7123098
Name [?]:
4-(3,4,5,6-tetrahydro-2H-pyridin-1-ylmethyl)aniline
SMILES [?]:
c1cc(ccc1C[NH+]2CCCCC2)N
InChi [?]:
InChI=1/C12H18N2/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7H,1-3,8-10,13H2/p+1
InChi Info:
AuxInfo=1/1/N:11,10,12,1,5,2,4,9,13,7,6,3,14,8/E:(2,3)(4,5)(6,7)(8,9)/rA:14nCCCCCCCN+CCCCCN/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s8s12;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19N2+
All Atoms:33
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-20.5842
Area:370.18
Solvation:-29.8387
Coulombic:11.1744
Bond Count [?]
All:15
Single:12
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:191.293
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:1.82
LogP (Chemaxon):1.87

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Descriptor Annotations

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