3-amino-3-quinolin-6-ylpropanenitrile

C12H11N3 — CID 55273076

IUPAC3-amino-3-quinolin-6-ylpropanenitrile
SMILESN#CCC(N)c1ccc2ncccc2c1
InChIInChI=1S/C12H11N3/c13-6-5-11(14)9-3-4-12-10(8-9)2-1-7-15-12/h1-4,7-8,11H,5,14H2
InChIKeyHCDCEGRKWYIKSN-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.15
Rot. Bonds2

About 3-amino-3-quinolin-6-ylpropanenitrile

3-amino-3-quinolin-6-ylpropanenitrile (PubChem CID 55273076) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-amino-3-quinolin-6-ylpropanenitrile.

Molecular Properties

Compound Name3-amino-3-quinolin-6-ylpropanenitrile
PubChem CID55273076
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name3-amino-3-quinolin-6-ylpropanenitrile
SMILESN#CCC(N)c1ccc2ncccc2c1
InChIInChI=1S/C12H11N3/c13-6-5-11(14)9-3-4-12-10(8-9)2-1-7-15-12/h1-4,7-8,11H,5,14H2
InChIKeyHCDCEGRKWYIKSN-UHFFFAOYSA-N
XLogP2.15
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-quinoxalin-6-ylpropanenitrile
CID 55276938
2-amino-2-quinolin-6-ylacetonitrile
CID 63968103
1-quinolin-6-ylbutan-1-amine
CID 63095616
5-methyl-1-quinolin-6-ylhexan-1-amine
CID 83161358
1-quinolin-6-yldecan-1-amine
CID 63418413
2-tert-butylsulfanyl-1-quinolin-6-ylethanamine
CID 81232046
4-methoxy-1-quinolin-6-ylbutan-1-amine
CID 78924718
2-(diethylamino)-2-quinolin-6-ylacetonitrile
CID 63970802
3-phenoxy-1-quinolin-6-ylpropan-1-amine
CID 78924724
4-amino-4-quinolin-6-ylbutanoic acid
CID 84693454
2-(4-methylphenyl)-1-quinolin-6-ylethanamine
CID 63097383
2,2-difluoro-1-quinolin-6-ylethanamine
CID 80604993

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-quinolin-6-ylpropanenitrile?
The IUPAC name of 3-amino-3-quinolin-6-ylpropanenitrile (CID 55273076) is 3-amino-3-quinolin-6-ylpropanenitrile.
What is the SMILES notation for 3-amino-3-quinolin-6-ylpropanenitrile?
The canonical SMILES for 3-amino-3-quinolin-6-ylpropanenitrile is N#CCC(N)c1ccc2ncccc2c1.
What is the InChIKey of 3-amino-3-quinolin-6-ylpropanenitrile?
The InChIKey is HCDCEGRKWYIKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c13-6-5-11(14)9-3-4-12-10(8-9)2-1-7-15-12/h1-4,7-8,11H,5,14H2.
What are the key properties of 3-amino-3-quinolin-6-ylpropanenitrile?
3-amino-3-quinolin-6-ylpropanenitrile has a molecular weight of 197.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-quinolin-6-ylpropanenitrile is sourced from PubChem (CID 55273076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).