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

C16H32N4O — CID 105416903

IUPAC2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanamide
SMILESCN(CCC(C)(NC1CC1)C(N)=O)CC1(N(C)C)CCC1
InChIInChI=1S/C16H32N4O/c1-15(14(17)21,18-13-6-7-13)10-11-20(4)12-16(19(2)3)8-5-9-16/h13,18H,5-12H2,1-4H3,(H2,17,21)
InChIKeyOFJAWOUWLTYFGU-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.79
Rot. Bonds9

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

2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanamide (PubChem CID 105416903) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanamide
PubChem CID105416903
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanamide
SMILESCN(CCC(C)(NC1CC1)C(N)=O)CC1(N(C)C)CCC1
InChIInChI=1S/C16H32N4O/c1-15(14(17)21,18-13-6-7-13)10-11-20(4)12-16(19(2)3)8-5-9-16/h13,18H,5-12H2,1-4H3,(H2,17,21)
InChIKeyOFJAWOUWLTYFGU-UHFFFAOYSA-N
XLogP0.79
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile
CID 105416596
2-(cyclopropylamino)-4-[cyclopropyl(cyclopropylmethyl)amino]-2-methylbutanamide
CID 64520054
4-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylbutanoic acid
CID 55249059
methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate
CID 105416856
2-(cyclopropylamino)-2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]pentanamide
CID 63210861
2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide
CID 82743387
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 63954453
2-(cyclopropylamino)-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanamide
CID 82743641
2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid
CID 65487478
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid
CID 106806525
2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide
CID 62232161
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine
CID 105417884

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanamide?
The IUPAC name of 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanamide (CID 105416903) is 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanamide is CN(CCC(C)(NC1CC1)C(N)=O)CC1(N(C)C)CCC1.
What is the InChIKey of 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanamide?
The InChIKey is OFJAWOUWLTYFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-15(14(17)21,18-13-6-7-13)10-11-20(4)12-16(19(2)3)8-5-9-16/h13,18H,5-12H2,1-4H3,(H2,17,21).
What are the key properties of 2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanamide?
2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanamide has a molecular weight of 296.46 g/mol, XLogP of 0.79, 9 rotatable bonds, 2 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-methylbutanamide is sourced from PubChem (CID 105416903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).