2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile

C16H30N4 — CID 105416596

IUPAC2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile
SMILESCN(CCC(C)(C#N)NC1CC1)CC1(N(C)C)CCC1
InChIInChI=1S/C16H30N4/c1-15(12-17,18-14-6-7-14)10-11-20(4)13-16(19(2)3)8-5-9-16/h14,18H,5-11,13H2,1-4H3
InChIKeyWCKWQAFDPKJPDO-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.83
Rot. Bonds8

About 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile

2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile (PubChem CID 105416596) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile
PubChem CID105416596
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile
SMILESCN(CCC(C)(C#N)NC1CC1)CC1(N(C)C)CCC1
InChIInChI=1S/C16H30N4/c1-15(12-17,18-14-6-7-14)10-11-20(4)13-16(19(2)3)8-5-9-16/h14,18H,5-11,13H2,1-4H3
InChIKeyWCKWQAFDPKJPDO-UHFFFAOYSA-N
XLogP1.83
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanamide
CID 105416903
6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile
CID 105416604
6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile
CID 106710145
5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 63631836
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile
CID 63713353
6-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanenitrile
CID 63632002
2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile
CID 63698921
2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 105416538
2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
CID 63965795
2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile
CID 63700305
2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
CID 79850050
2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile
CID 63236655

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile (CID 105416596) is 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile is CN(CCC(C)(C#N)NC1CC1)CC1(N(C)C)CCC1.
What is the InChIKey of 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile?
The InChIKey is WCKWQAFDPKJPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-15(12-17,18-14-6-7-14)10-11-20(4)13-16(19(2)3)8-5-9-16/h14,18H,5-11,13H2,1-4H3.
What are the key properties of 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile?
2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile has a molecular weight of 278.44 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile is sourced from PubChem (CID 105416596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).