2-(cyclopropylamino)-3-phenylpropanenitrile

C12H14N2 — CID 43151723

IUPAC2-(cyclopropylamino)-3-phenylpropanenitrile
SMILESN#CC(Cc1ccccc1)NC1CC1
InChIInChI=1S/C12H14N2/c13-9-12(14-11-6-7-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-8H2
InChIKeyWAHDVIOGIPDQAD-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.87
Rot. Bonds4

About 2-(cyclopropylamino)-3-phenylpropanenitrile

2-(cyclopropylamino)-3-phenylpropanenitrile (PubChem CID 43151723) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-phenylpropanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-phenylpropanenitrile
PubChem CID43151723
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-(cyclopropylamino)-3-phenylpropanenitrile
SMILESN#CC(Cc1ccccc1)NC1CC1
InChIInChI=1S/C12H14N2/c13-9-12(14-11-6-7-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-8H2
InChIKeyWAHDVIOGIPDQAD-UHFFFAOYSA-N
XLogP1.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopropyl-3-phenylpropane-1,2-diamine
CID 62070151
3-phenyl-2-[[(1R)-1-phenylethyl]amino]propanenitrile
CID 11747074
3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile
CID 11265207
N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine
CID 125485962
(2S)-2-(1-hydroxypropan-2-ylamino)-3-phenylpropanenitrile
CID 67860910
(2S)-2-(1-chloropropylamino)-3-phenylpropanenitrile
CID 67860917
2-(cyclopropylamino)-3-phenylpropanamide
CID 60796180
2-(cyclopropylamino)-4-(2-fluorophenoxy)butanenitrile
CID 63028623
2-(cyclopropylamino)-4-naphthalen-2-ylsulfanylbutanenitrile
CID 63054084
N-[(1R)-1-(furan-2-yl)-2-phenylethyl]cyclopropanamine
CID 125485850
2-hydrazinyl-3-(4-phenylphenyl)propanenitrile
CID 71190861
N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79008757

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-phenylpropanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-phenylpropanenitrile (CID 43151723) is 2-(cyclopropylamino)-3-phenylpropanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-phenylpropanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-phenylpropanenitrile is N#CC(Cc1ccccc1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-phenylpropanenitrile?
The InChIKey is WAHDVIOGIPDQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-9-12(14-11-6-7-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-8H2.
What are the key properties of 2-(cyclopropylamino)-3-phenylpropanenitrile?
2-(cyclopropylamino)-3-phenylpropanenitrile has a molecular weight of 186.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-phenylpropanenitrile is sourced from PubChem (CID 43151723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).