2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one

C15H28N2O — CID 63994705

IUPAC2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC1CCC(NC(C)C(=O)N2CCCC2)C(C)C1
InChIInChI=1S/C15H28N2O/c1-11-6-7-14(12(2)10-11)16-13(3)15(18)17-8-4-5-9-17/h11-14,16H,4-10H2,1-3H3
InChIKeyAVHWHDBDKKFXBW-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds3

About 2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one

2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 63994705) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID63994705
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC1CCC(NC(C)C(=O)N2CCCC2)C(C)C1
InChIInChI=1S/C15H28N2O/c1-11-6-7-14(12(2)10-11)16-13(3)15(18)17-8-4-5-9-17/h11-14,16H,4-10H2,1-3H3
InChIKeyAVHWHDBDKKFXBW-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylcyclopropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 62397935
(2R)-2-[(2,4-dimethylcyclohexyl)amino]-N-methylpropanamide
CID 104537061
2-[(3,5-dimethylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one
CID 64753004
N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide
CID 63995714
1-(azepan-1-yl)-2-[(2-ethylcyclopropyl)amino]propan-1-one
CID 114108217
2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide
CID 63995484
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
CID 115880387
2-[(3-methylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113348498
1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
CID 79730724

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 63994705) is 2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one is CC1CCC(NC(C)C(=O)N2CCCC2)C(C)C1.
What is the InChIKey of 2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is AVHWHDBDKKFXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11-6-7-14(12(2)10-11)16-13(3)15(18)17-8-4-5-9-17/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 63994705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).