2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide

C9H19N3O — CID 79467903

IUPAC2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C1CCC(N)C1
InChIInChI=1S/C9H19N3O/c1-11-9(13)6-12(2)8-4-3-7(10)5-8/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyFHVWBRFDPLSSBV-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.46
Rot. Bonds3

About 2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide

2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide (PubChem CID 79467903) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide
PubChem CID79467903
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C1CCC(N)C1
InChIInChI=1S/C9H19N3O/c1-11-9(13)6-12(2)8-4-3-7(10)5-8/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyFHVWBRFDPLSSBV-UHFFFAOYSA-N
XLogP-0.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide (CID 79467903) is 2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)C1CCC(N)C1.
What is the InChIKey of 2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide?
The InChIKey is FHVWBRFDPLSSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11-9(13)6-12(2)8-4-3-7(10)5-8/h7-8H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide?
2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide has a molecular weight of 185.27 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 79467903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).