3-[(1-methylcyclopentyl)amino]-3-phenylpropanenitrile

C15H20N2 — CID 62780214

IUPAC3-[(1-methylcyclopentyl)amino]-3-phenylpropanenitrile
SMILESCC1(NC(CC#N)c2ccccc2)CCCC1
InChIInChI=1S/C15H20N2/c1-15(10-5-6-11-15)17-14(9-12-16)13-7-3-2-4-8-13/h2-4,7-8,14,17H,5-6,9-11H2,1H3
InChIKeyFJLBEGLLJJTOCS-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.56
Rot. Bonds4

About 3-[(1-methylcyclopentyl)amino]-3-phenylpropanenitrile

3-[(1-methylcyclopentyl)amino]-3-phenylpropanenitrile (PubChem CID 62780214) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[(1-methylcyclopentyl)amino]-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-[(1-methylcyclopentyl)amino]-3-phenylpropanenitrile
PubChem CID62780214
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-[(1-methylcyclopentyl)amino]-3-phenylpropanenitrile
SMILESCC1(NC(CC#N)c2ccccc2)CCCC1
InChIInChI=1S/C15H20N2/c1-15(10-5-6-11-15)17-14(9-12-16)13-7-3-2-4-8-13/h2-4,7-8,14,17H,5-6,9-11H2,1H3
InChIKeyFJLBEGLLJJTOCS-UHFFFAOYSA-N
XLogP3.56
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methyl-2-propan-2-ylbutyl)amino]-3-phenylpropanenitrile
CID 102905343
3-[(1,1-dioxothian-3-yl)amino]-3-phenylpropanenitrile
CID 63923333
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(1-methylcyclopentyl)acetonitrile
CID 102325450
3-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanenitrile
CID 62778213
3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile
CID 63219905
3-(2-methylbutylamino)-3-phenylpropanenitrile
CID 62778386
3-(2-methylsulfanylanilino)-3-phenylpropanenitrile
CID 107644742
3-(1-phenylpropylamino)butanenitrile
CID 62306250
3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile
CID 55117724
3-(pent-3-ynylamino)-3-phenylpropanenitrile
CID 116643737
3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile
CID 114121615
3-(2-methoxyethoxyamino)-3-phenylpropanenitrile
CID 82722769

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylcyclopentyl)amino]-3-phenylpropanenitrile?
The IUPAC name of 3-[(1-methylcyclopentyl)amino]-3-phenylpropanenitrile (CID 62780214) is 3-[(1-methylcyclopentyl)amino]-3-phenylpropanenitrile.
What is the SMILES notation for 3-[(1-methylcyclopentyl)amino]-3-phenylpropanenitrile?
The canonical SMILES for 3-[(1-methylcyclopentyl)amino]-3-phenylpropanenitrile is CC1(NC(CC#N)c2ccccc2)CCCC1.
What is the InChIKey of 3-[(1-methylcyclopentyl)amino]-3-phenylpropanenitrile?
The InChIKey is FJLBEGLLJJTOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-15(10-5-6-11-15)17-14(9-12-16)13-7-3-2-4-8-13/h2-4,7-8,14,17H,5-6,9-11H2,1H3.
What are the key properties of 3-[(1-methylcyclopentyl)amino]-3-phenylpropanenitrile?
3-[(1-methylcyclopentyl)amino]-3-phenylpropanenitrile has a molecular weight of 228.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclopentyl)amino]-3-phenylpropanenitrile is sourced from PubChem (CID 62780214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).