Chemical ID: 5704161

CCCCn1ccc(=[NH2+])cc1
Chemical ID:
5704161
Name [?]:
(1-butyl-4-pyridylidene)ammonium
SMILES [?]:
CCCCn1ccc(=[NH2+])cc1
InChi [?]:
InChI=1/C9H14N2/c1-2-3-6-11-7-4-9(10)5-8-11/h4-5,7-8,10H,2-3,6H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,3,7,10,4,6,11,8,9,5/E:(4,5)(7,8)/rA:11nCCCCNCCCN+CC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s5d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H15N2+
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-30.213
Area:336.833
Solvation:-38.6338
Coulombic:-6.24263
Bond Count [?]
All:11
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:151.229
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.95
LogP (Chemaxon):2.23

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Descriptor Annotations

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