2-(cyclopropylamino)-3-phenylbutanenitrile

C13H16N2 — CID 61305569

IUPAC2-(cyclopropylamino)-3-phenylbutanenitrile
SMILESCC(c1ccccc1)C(C#N)NC1CC1
InChIInChI=1S/C13H16N2/c1-10(11-5-3-2-4-6-11)13(9-14)15-12-7-8-12/h2-6,10,12-13,15H,7-8H2,1H3
InChIKeyPNPOCFZHPJDMMM-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.43
Rot. Bonds4

About 2-(cyclopropylamino)-3-phenylbutanenitrile

2-(cyclopropylamino)-3-phenylbutanenitrile (PubChem CID 61305569) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-phenylbutanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-phenylbutanenitrile
PubChem CID61305569
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name2-(cyclopropylamino)-3-phenylbutanenitrile
SMILESCC(c1ccccc1)C(C#N)NC1CC1
InChIInChI=1S/C13H16N2/c1-10(11-5-3-2-4-6-11)13(9-14)15-12-7-8-12/h2-6,10,12-13,15H,7-8H2,1H3
InChIKeyPNPOCFZHPJDMMM-UHFFFAOYSA-N
XLogP2.43
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-(benzylamino)-3-phenylbutanenitrile
CID 10755680
2-(3-hydroxypropylamino)-3-phenylbutanenitrile
CID 62587688
2-(cyclopentylamino)-3-phenylbutan-1-ol
CID 61309786
N-(1-phenylethyl)cyclododecanamine
CID 60662638
N-benzhydryl-4-methylcyclohexan-1-amine
CID 43079012
(2S)-2-cyclohexyl-2-phenylacetonitrile
CID 6992167
2-(cyclopropylamino)-3-phenylpropanenitrile
CID 43151723
1-(cyclopropylamino)-3-phenylbutan-2-ol
CID 62773740
methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane
CID 162170584
N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81350691
N-(1-phenylethyl)oxan-4-amine
CID 43608319
N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 81351686

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-phenylbutanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-phenylbutanenitrile (CID 61305569) is 2-(cyclopropylamino)-3-phenylbutanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-phenylbutanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-phenylbutanenitrile is CC(c1ccccc1)C(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-phenylbutanenitrile?
The InChIKey is PNPOCFZHPJDMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10(11-5-3-2-4-6-11)13(9-14)15-12-7-8-12/h2-6,10,12-13,15H,7-8H2,1H3.
What are the key properties of 2-(cyclopropylamino)-3-phenylbutanenitrile?
2-(cyclopropylamino)-3-phenylbutanenitrile has a molecular weight of 200.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-phenylbutanenitrile is sourced from PubChem (CID 61305569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).