3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile

C16H23N3 — CID 105416496

IUPAC3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile
SMILESCN(C)C1(CNCC(C#N)c2ccccc2)CCC1
InChIInChI=1S/C16H23N3/c1-19(2)16(9-6-10-16)13-18-12-15(11-17)14-7-4-3-5-8-14/h3-5,7-8,15,18H,6,9-10,12-13H2,1-2H3
InChIKeyPKPPHBHFSPNMIT-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.37
Rot. Bonds6

About 3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile

3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile (PubChem CID 105416496) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile
PubChem CID105416496
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile
SMILESCN(C)C1(CNCC(C#N)c2ccccc2)CCC1
InChIInChI=1S/C16H23N3/c1-19(2)16(9-6-10-16)13-18-12-15(11-17)14-7-4-3-5-8-14/h3-5,7-8,15,18H,6,9-10,12-13H2,1-2H3
InChIKeyPKPPHBHFSPNMIT-UHFFFAOYSA-N
XLogP2.37
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclobutylmethylamino)-2-phenylpropanenitrile
CID 64538638
3-(3-methylbutylamino)-2-phenylpropanenitrile
CID 64533176
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-phenylpropanenitrile
CID 105414729
3-(tert-butylamino)-2-phenylpropanenitrile
CID 64536204
3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile
CID 113450152
3-[2-[di(propan-2-yl)amino]ethylamino]-2-phenylpropanenitrile
CID 64535404
3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile
CID 64538451
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-phenylpropanenitrile
CID 64538244
3-[(3-hydroxy-4-methoxybutyl)amino]-2-phenylpropanenitrile
CID 106246789
1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol
CID 105416659
3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile
CID 64538669
3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile
CID 64536413

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile?
The IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile (CID 105416496) is 3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile?
The canonical SMILES for 3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile is CN(C)C1(CNCC(C#N)c2ccccc2)CCC1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile?
The InChIKey is PKPPHBHFSPNMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-19(2)16(9-6-10-16)13-18-12-15(11-17)14-7-4-3-5-8-14/h3-5,7-8,15,18H,6,9-10,12-13H2,1-2H3.
What are the key properties of 3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile?
3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile has a molecular weight of 257.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile is sourced from PubChem (CID 105416496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).