3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one

C11H21N3O — CID 106253597

IUPAC3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NC2CCC(N)CC2)C1=O
InChIInChI=1S/C11H21N3O/c1-14-7-6-10(11(14)15)13-9-4-2-8(12)3-5-9/h8-10,13H,2-7,12H2,1H3
InChIKeyQSOSXPXBUAULMH-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.08
Rot. Bonds2

About 3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one

3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one (PubChem CID 106253597) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one
PubChem CID106253597
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(NC2CCC(N)CC2)C1=O
InChIInChI=1S/C11H21N3O/c1-14-7-6-10(11(14)15)13-9-4-2-8(12)3-5-9/h8-10,13H,2-7,12H2,1H3
InChIKeyQSOSXPXBUAULMH-UHFFFAOYSA-N
XLogP0.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]piperidine-1-carboxamide
CID 103914469
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128
3-[(3-ethoxycyclobutyl)amino]-1-methylpyrrolidin-2-one
CID 103917757
1-methyl-2-oxo-3-(sulfamoylamino)pyrrolidine
CID 103682335
1-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
CID 102613000
4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine
CID 158561416
3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one
CID 130500214
4-[(4-aminocyclohexyl)amino]-1,2-oxazolidin-3-one
CID 130949349
1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
CID 103792111
3-amino-1-methylpyrrolidin-2-one;hydrochloride
CID 67280315
1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one
CID 106252950
3-[[3-(3-chlorophenyl)cyclobutyl]amino]-1-methylpyrrolidin-2-one
CID 103711168

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one (CID 106253597) is 3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one is CN1CCC(NC2CCC(N)CC2)C1=O.
What is the InChIKey of 3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is QSOSXPXBUAULMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-14-7-6-10(11(14)15)13-9-4-2-8(12)3-5-9/h8-10,13H,2-7,12H2,1H3.
What are the key properties of 3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one?
3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 211.31 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106253597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).