3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile

C17H25N3 — CID 105414729

IUPAC3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile
SMILESCN(CC1(N(C)C)CCC1)C(CC#N)c1ccccc1
InChIInChI=1S/C17H25N3/c1-19(2)17(11-7-12-17)14-20(3)16(10-13-18)15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-12,14H2,1-3H3
InChIKeyUYQBLMWWHQWNFV-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.06
Rot. Bonds6

About 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile

3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile (PubChem CID 105414729) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile
PubChem CID105414729
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile
SMILESCN(CC1(N(C)C)CCC1)C(CC#N)c1ccccc1
InChIInChI=1S/C17H25N3/c1-19(2)17(11-7-12-17)14-20(3)16(10-13-18)15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-12,14H2,1-3H3
InChIKeyUYQBLMWWHQWNFV-UHFFFAOYSA-N
XLogP3.06
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile
CID 105416496
3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile
CID 62778735
3-[3-hydroxybutyl(methyl)amino]-3-phenylpropanenitrile
CID 113499592
3-(2,2-dimethylpyrrolidin-1-yl)-3-phenylpropanenitrile
CID 63219905
3-(dipropylamino)-3-phenylpropanenitrile
CID 55117965
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile
CID 105414725
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropane-1-thiol
CID 105418786
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile
CID 105417896
3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile
CID 55248926
methyl 4-[(2-cyano-1-phenylethyl)-methylamino]butanoate
CID 62778555
3-(dibutylamino)-3-phenylpropanenitrile
CID 62779901

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile?
The IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile (CID 105414729) is 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile?
The canonical SMILES for 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile is CN(CC1(N(C)C)CCC1)C(CC#N)c1ccccc1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile?
The InChIKey is UYQBLMWWHQWNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-19(2)17(11-7-12-17)14-20(3)16(10-13-18)15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-12,14H2,1-3H3.
What are the key properties of 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile?
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile has a molecular weight of 271.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile is sourced from PubChem (CID 105414729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).