5-[[(2-methylcyclohexyl)amino]methyl]pyrrolidin-2-one

C12H22N2O — CID 60727633

IUPAC5-[[(2-methylcyclohexyl)amino]methyl]pyrrolidin-2-one
SMILESCC1CCCCC1NCC1CCC(=O)N1
InChIInChI=1S/C12H22N2O/c1-9-4-2-3-5-11(9)13-8-10-6-7-12(15)14-10/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyHCWKXGOXOWGNKL-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.43
Rot. Bonds3

About 5-[[(2-methylcyclohexyl)amino]methyl]pyrrolidin-2-one

5-[[(2-methylcyclohexyl)amino]methyl]pyrrolidin-2-one (PubChem CID 60727633) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-[[(2-methylcyclohexyl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(2-methylcyclohexyl)amino]methyl]pyrrolidin-2-one
PubChem CID60727633
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-[[(2-methylcyclohexyl)amino]methyl]pyrrolidin-2-one
SMILESCC1CCCCC1NCC1CCC(=O)N1
InChIInChI=1S/C12H22N2O/c1-9-4-2-3-5-11(9)13-8-10-6-7-12(15)14-10/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyHCWKXGOXOWGNKL-UHFFFAOYSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[(2,4,4-trimethylcyclohexyl)amino]methyl]pyrrolidin-2-one
CID 81320803
5-[(cyclooctylamino)methyl]pyrrolidin-2-one
CID 60727135
6-[(cyclopentylamino)methyl]piperidin-2-one
CID 130657607
(2R)-N-[(1S,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-2-carboxamide
CID 124606024
2-methyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107417002
N-[(5-oxopyrrolidin-2-yl)methyl]azocane-2-carboxamide
CID 114240154
6-[(cyclobutylamino)methyl]piperidin-2-one
CID 130620143
5-[[(1-methylcyclobutyl)amino]methyl]pyrrolidin-2-one
CID 107530010
2-methyl-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 80553082
5-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]pyrrolidin-2-one
CID 115871575
(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one
CID 166066315
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methylcyclohexyl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(2-methylcyclohexyl)amino]methyl]pyrrolidin-2-one (CID 60727633) is 5-[[(2-methylcyclohexyl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(2-methylcyclohexyl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(2-methylcyclohexyl)amino]methyl]pyrrolidin-2-one is CC1CCCCC1NCC1CCC(=O)N1.
What is the InChIKey of 5-[[(2-methylcyclohexyl)amino]methyl]pyrrolidin-2-one?
The InChIKey is HCWKXGOXOWGNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-4-2-3-5-11(9)13-8-10-6-7-12(15)14-10/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 5-[[(2-methylcyclohexyl)amino]methyl]pyrrolidin-2-one?
5-[[(2-methylcyclohexyl)amino]methyl]pyrrolidin-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methylcyclohexyl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 60727633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).