3-(cyclobutylmethylamino)-2-phenylpropanenitrile

C14H18N2 — CID 64538638

IUPAC3-(cyclobutylmethylamino)-2-phenylpropanenitrile
SMILESN#CC(CNCC1CCC1)c1ccccc1
InChIInChI=1S/C14H18N2/c15-9-14(13-7-2-1-3-8-13)11-16-10-12-5-4-6-12/h1-3,7-8,12,14,16H,4-6,10-11H2
InChIKeyYJCMBGOZPOGXAV-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.68
Rot. Bonds5

About 3-(cyclobutylmethylamino)-2-phenylpropanenitrile

3-(cyclobutylmethylamino)-2-phenylpropanenitrile (PubChem CID 64538638) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(cyclobutylmethylamino)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(cyclobutylmethylamino)-2-phenylpropanenitrile
PubChem CID64538638
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-(cyclobutylmethylamino)-2-phenylpropanenitrile
SMILESN#CC(CNCC1CCC1)c1ccccc1
InChIInChI=1S/C14H18N2/c15-9-14(13-7-2-1-3-8-13)11-16-10-12-5-4-6-12/h1-3,7-8,12,14,16H,4-6,10-11H2
InChIKeyYJCMBGOZPOGXAV-UHFFFAOYSA-N
XLogP2.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile
CID 64538451
N-(cyclobutylmethyl)-2,2-diphenylethanamine
CID 107292720
3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile
CID 64533582
3-[2-(3-methylcyclohexyl)ethylamino]-2-phenylpropanenitrile
CID 64536641
N-(cyclopentylmethyl)-2,2-diphenylethanamine
CID 107292721
3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile
CID 64538669
3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile
CID 105416496
3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile
CID 64538839
3-[(2,3-dimethylcyclohexyl)amino]-2-phenylpropanenitrile
CID 64533581
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-phenylpropanenitrile
CID 114009204
3-(1,3-dihydroxypropan-2-ylamino)-2-phenylpropanenitrile
CID 65313203
3-(3-methylbutylamino)-2-phenylpropanenitrile
CID 64533176

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethylamino)-2-phenylpropanenitrile?
The IUPAC name of 3-(cyclobutylmethylamino)-2-phenylpropanenitrile (CID 64538638) is 3-(cyclobutylmethylamino)-2-phenylpropanenitrile.
What is the SMILES notation for 3-(cyclobutylmethylamino)-2-phenylpropanenitrile?
The canonical SMILES for 3-(cyclobutylmethylamino)-2-phenylpropanenitrile is N#CC(CNCC1CCC1)c1ccccc1.
What is the InChIKey of 3-(cyclobutylmethylamino)-2-phenylpropanenitrile?
The InChIKey is YJCMBGOZPOGXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c15-9-14(13-7-2-1-3-8-13)11-16-10-12-5-4-6-12/h1-3,7-8,12,14,16H,4-6,10-11H2.
What are the key properties of 3-(cyclobutylmethylamino)-2-phenylpropanenitrile?
3-(cyclobutylmethylamino)-2-phenylpropanenitrile has a molecular weight of 214.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylamino)-2-phenylpropanenitrile is sourced from PubChem (CID 64538638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).