3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile

C14H18N2O — CID 82738157

IUPAC3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile
SMILESCN(CC(C#N)c1ccccc1)C1CCOC1
InChIInChI=1S/C14H18N2O/c1-16(14-7-8-17-11-14)10-13(9-15)12-5-3-2-4-6-12/h2-6,13-14H,7-8,10-11H2,1H3
InChIKeyKKYDRPCYEJPXHU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.01
Rot. Bonds4

About 3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile

3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile (PubChem CID 82738157) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile
PubChem CID82738157
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile
SMILESCN(CC(C#N)c1ccccc1)C1CCOC1
InChIInChI=1S/C14H18N2O/c1-16(14-7-8-17-11-14)10-13(9-15)12-5-3-2-4-6-12/h2-6,13-14H,7-8,10-11H2,1H3
InChIKeyKKYDRPCYEJPXHU-UHFFFAOYSA-N
XLogP2.01
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanenitrile
CID 64538378
(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
2-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propanenitrile
CID 82748975
2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one
CID 82743357
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide
CID 82737962
N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735457
(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293
3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile
CID 64538564
N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 82754002
3-[methyl(oxolan-3-yl)amino]-2-phenyl-2-(propylamino)propanenitrile
CID 82730933
N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine
CID 63558537

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile?
The IUPAC name of 3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile (CID 82738157) is 3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile?
The canonical SMILES for 3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile is CN(CC(C#N)c1ccccc1)C1CCOC1.
What is the InChIKey of 3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile?
The InChIKey is KKYDRPCYEJPXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16(14-7-8-17-11-14)10-13(9-15)12-5-3-2-4-6-12/h2-6,13-14H,7-8,10-11H2,1H3.
What are the key properties of 3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile?
3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile has a molecular weight of 230.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile is sourced from PubChem (CID 82738157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).