1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one

C14H26N2O — CID 103902398

IUPAC1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one
SMILESCC1CC(C)(C)CCC1NC1CCN(C)C1=O
InChIInChI=1S/C14H26N2O/c1-10-9-14(2,3)7-5-11(10)15-12-6-8-16(4)13(12)17/h10-12,15H,5-9H2,1-4H3
InChIKeyQENFQBQBOIXWCH-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.02
Rot. Bonds2

About 1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one

1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one (PubChem CID 103902398) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one
PubChem CID103902398
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one
SMILESCC1CC(C)(C)CCC1NC1CCN(C)C1=O
InChIInChI=1S/C14H26N2O/c1-10-9-14(2,3)7-5-11(10)15-12-6-8-16(4)13(12)17/h10-12,15H,5-9H2,1-4H3
InChIKeyQENFQBQBOIXWCH-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(1R,2R)-2,4,4-trimethylcyclohexyl]urea
CID 124739941
1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine
CID 81320957
3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one
CID 130500214
9-methyl-N-(2,4,4-trimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 81320651
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128
N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81320577
3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one
CID 106253597
1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
CID 103792111
N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide
CID 162401417
2,5-dimethyl-N-(2,4,4-trimethylcyclohexyl)pyrrol-1-amine
CID 81321137
N-(2,4,4-trimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 81321574
6-fluoro-N-(2,4,4-trimethylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 81303510

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one (CID 103902398) is 1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one is CC1CC(C)(C)CCC1NC1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one?
The InChIKey is QENFQBQBOIXWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10-9-14(2,3)7-5-11(10)15-12-6-8-16(4)13(12)17/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one?
1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one has a molecular weight of 238.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 103902398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).