3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile

C14H18N2O — CID 114119351

IUPAC3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile
SMILESCOC1CC(NCC(C#N)c2ccccc2)C1
InChIInChI=1S/C14H18N2O/c1-17-14-7-13(8-14)16-10-12(9-15)11-5-3-2-4-6-11/h2-6,12-14,16H,7-8,10H2,1H3
InChIKeyJJPFKIMLGKVOBZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.06
Rot. Bonds5

About 3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile

3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile (PubChem CID 114119351) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile
PubChem CID114119351
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile
SMILESCOC1CC(NCC(C#N)c2ccccc2)C1
InChIInChI=1S/C14H18N2O/c1-17-14-7-13(8-14)16-10-12(9-15)11-5-3-2-4-6-11/h2-6,12-14,16H,7-8,10H2,1H3
InChIKeyJJPFKIMLGKVOBZ-UHFFFAOYSA-N
XLogP2.06
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile
CID 64538839
3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine
CID 104591432
3-[(2,3-dimethylcyclohexyl)amino]-2-phenylpropanenitrile
CID 64533581
3-(cyclobutylmethylamino)-2-phenylpropanenitrile
CID 64538638
3-(tert-butylamino)-2-phenylpropanenitrile
CID 64536204
3-(3,4-dimethoxyanilino)-2-phenylpropanenitrile
CID 64533171
3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile
CID 113450152
3-(2-methylsulfanylanilino)-2-phenylpropanenitrile
CID 107644775
3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile
CID 64605677
3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile
CID 105416496
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-phenylpropanenitrile
CID 64536221
3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile
CID 64538669

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile?
The IUPAC name of 3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile (CID 114119351) is 3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile?
The canonical SMILES for 3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile is COC1CC(NCC(C#N)c2ccccc2)C1.
What is the InChIKey of 3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile?
The InChIKey is JJPFKIMLGKVOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-14-7-13(8-14)16-10-12(9-15)11-5-3-2-4-6-11/h2-6,12-14,16H,7-8,10H2,1H3.
What are the key properties of 3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile?
3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile has a molecular weight of 230.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile is sourced from PubChem (CID 114119351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).