4-amino-4-pyridin-2-ylbutanenitrile

C9H11N3 — CID 116940079

IUPAC4-amino-4-pyridin-2-ylbutanenitrile
SMILESN#CCCC(N)c1ccccn1
InChIInChI=1S/C9H11N3/c10-6-3-4-8(11)9-5-1-2-7-12-9/h1-2,5,7-8H,3-4,11H2
InChIKeyRGLOVGBMSIDZHI-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.39
Rot. Bonds3

About 4-amino-4-pyridin-2-ylbutanenitrile

4-amino-4-pyridin-2-ylbutanenitrile (PubChem CID 116940079) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 4-amino-4-pyridin-2-ylbutanenitrile.

Molecular Properties

Compound Name4-amino-4-pyridin-2-ylbutanenitrile
PubChem CID116940079
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name4-amino-4-pyridin-2-ylbutanenitrile
SMILESN#CCCC(N)c1ccccn1
InChIInChI=1S/C9H11N3/c10-6-3-4-8(11)9-5-1-2-7-12-9/h1-2,5,7-8H,3-4,11H2
InChIKeyRGLOVGBMSIDZHI-UHFFFAOYSA-N
XLogP1.39
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenyl-6-pyridin-2-ylhexanenitrile
CID 138977587
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
4-amino-4-pyridin-2-ylbutanoic acid
CID 55292382
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499
(2R)-2-amino-2-pyridin-2-ylethanol;hydrochloride
CID 86306039
(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine
CID 99737676
1-pyridin-2-yloct-7-en-1-amine
CID 107008819
2,2-dipyridin-2-ylacetonitrile
CID 14006057
(1R)-2-cyclohexyl-1-pyridin-2-ylethanamine
CID 15808925
3-phenyl-3-pyridin-2-ylpropanenitrile
CID 10465646
2-methoxy-1-pyridin-2-ylethanamine;hydrochloride
CID 53398961
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-pyridin-2-ylbutanenitrile?
The IUPAC name of 4-amino-4-pyridin-2-ylbutanenitrile (CID 116940079) is 4-amino-4-pyridin-2-ylbutanenitrile.
What is the SMILES notation for 4-amino-4-pyridin-2-ylbutanenitrile?
The canonical SMILES for 4-amino-4-pyridin-2-ylbutanenitrile is N#CCCC(N)c1ccccn1.
What is the InChIKey of 4-amino-4-pyridin-2-ylbutanenitrile?
The InChIKey is RGLOVGBMSIDZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c10-6-3-4-8(11)9-5-1-2-7-12-9/h1-2,5,7-8H,3-4,11H2.
What are the key properties of 4-amino-4-pyridin-2-ylbutanenitrile?
4-amino-4-pyridin-2-ylbutanenitrile has a molecular weight of 161.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-pyridin-2-ylbutanenitrile is sourced from PubChem (CID 116940079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).