3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile

C15H15N3 — CID 54997270

IUPAC3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile
SMILESN#CCCN(c1ccnc2ccccc12)C1CC1
InChIInChI=1S/C15H15N3/c16-9-3-11-18(12-6-7-12)15-8-10-17-14-5-2-1-4-13(14)15/h1-2,4-5,8,10,12H,3,6-7,11H2
InChIKeyVTRMJSASNXUMGU-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.12
Rot. Bonds4

About 3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile

3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile (PubChem CID 54997270) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile
PubChem CID54997270
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile
SMILESN#CCCN(c1ccnc2ccccc12)C1CC1
InChIInChI=1S/C15H15N3/c16-9-3-11-18(12-6-7-12)15-8-10-17-14-5-2-1-4-13(14)15/h1-2,4-5,8,10,12H,3,6-7,11H2
InChIKeyVTRMJSASNXUMGU-UHFFFAOYSA-N
XLogP3.12
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile
CID 54997318
3-[cyclopropyl-(2-methylquinolin-4-yl)amino]propanenitrile
CID 54997126
3-(N-quinolin-4-ylanilino)propanenitrile
CID 61341174
3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile
CID 104776567
3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile
CID 80904992
3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile
CID 80787496
3-[N-cyclopropyl-2-[(1S)-1-hydroxyethyl]anilino]propanenitrile
CID 78940577
3-[cyclopropyl-(3-nitro-2-pyridinyl)amino]propanenitrile
CID 54997173
3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile
CID 82817619
3-[N-cyclopropyl-2-[(1R)-1-hydroxypropyl]anilino]propanenitrile
CID 113358991
3-(N-cyclohexylanilino)propanenitrile
CID 43183263
3-[2-(chloromethyl)-N-cyclopropyl-4-fluoroanilino]propanenitrile
CID 54997790

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile (CID 54997270) is 3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile is N#CCCN(c1ccnc2ccccc12)C1CC1.
What is the InChIKey of 3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile?
The InChIKey is VTRMJSASNXUMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-9-3-11-18(12-6-7-12)15-8-10-17-14-5-2-1-4-13(14)15/h1-2,4-5,8,10,12H,3,6-7,11H2.
What are the key properties of 3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile?
3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile has a molecular weight of 237.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile is sourced from PubChem (CID 54997270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).