Chemical ID: 7231990

c1ccc(cc1)CC2CC[NH2+]CC2
Chemical ID:
7231990
Name [?]:
4-benzyl-3,4,5,6-tetrahydro-2H-pyridine
SMILES [?]:
c1ccc(cc1)CC2CC[NH2+]CC2
InChi [?]:
InChI=1/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,13,10,12,7,4,8,11/E:(2,3)(4,5)(6,7)(8,9)/rA:13nCCCCCCCCCCN+CC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N+
All Atoms:31
Heavy Atoms:13
Chiral Atoms:None
ZAP Information [?]
Total:-25.5985
Area:350.227
Solvation:-34.3542
Coulombic:32.4837
Bond Count [?]
All:14
Single:11
Double:3
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.64
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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