3-[(2-aminocyclohexyl)-methylamino]-1-methylpyrrolidin-2-one

C12H23N3O — CID 102639926

IUPAC3-[(2-aminocyclohexyl)-methylamino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N(C)C2CCCCC2N)C1=O
InChIInChI=1S/C12H23N3O/c1-14-8-7-11(12(14)16)15(2)10-6-4-3-5-9(10)13/h9-11H,3-8,13H2,1-2H3
InChIKeyHRALZOPHVMEZMZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.42
Rot. Bonds2

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

3-[(2-aminocyclohexyl)-methylamino]-1-methylpyrrolidin-2-one (PubChem CID 102639926) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[(2-aminocyclohexyl)-methylamino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2-aminocyclohexyl)-methylamino]-1-methylpyrrolidin-2-one
PubChem CID102639926
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-[(2-aminocyclohexyl)-methylamino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N(C)C2CCCCC2N)C1=O
InChIInChI=1S/C12H23N3O/c1-14-8-7-11(12(14)16)15(2)10-6-4-3-5-9(10)13/h9-11H,3-8,13H2,1-2H3
InChIKeyHRALZOPHVMEZMZ-UHFFFAOYSA-N
XLogP0.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminocyclohexyl)-methylamino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(2-aminocyclohexyl)-methylamino]-1-methylpyrrolidin-2-one (CID 102639926) is 3-[(2-aminocyclohexyl)-methylamino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(2-aminocyclohexyl)-methylamino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(2-aminocyclohexyl)-methylamino]-1-methylpyrrolidin-2-one is CN1CCC(N(C)C2CCCCC2N)C1=O.
What is the InChIKey of 3-[(2-aminocyclohexyl)-methylamino]-1-methylpyrrolidin-2-one?
The InChIKey is HRALZOPHVMEZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14-8-7-11(12(14)16)15(2)10-6-4-3-5-9(10)13/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 3-[(2-aminocyclohexyl)-methylamino]-1-methylpyrrolidin-2-one?
3-[(2-aminocyclohexyl)-methylamino]-1-methylpyrrolidin-2-one has a molecular weight of 225.34 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminocyclohexyl)-methylamino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 102639926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).