2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide

C11H23N3O2 — CID 79468067

IUPAC2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C1CCC(N)C1
InChIInChI=1S/C11H23N3O2/c1-14(10-4-3-9(12)7-10)8-11(15)13-5-6-16-2/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyVESSHMXRSDIMJG-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.44
Rot. Bonds6

About 2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide

2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 79468067) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID79468067
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C1CCC(N)C1
InChIInChI=1S/C11H23N3O2/c1-14(10-4-3-9(12)7-10)8-11(15)13-5-6-16-2/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyVESSHMXRSDIMJG-UHFFFAOYSA-N
XLogP-0.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide
CID 79467903
2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 54989285
N-(2-methoxyethyl)-2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
CID 79122493
2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide
CID 79469564
2-[cyclohexyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)acetamide
CID 43067877
2-[acetyl(cyclohexyl)amino]-N-(2-methoxyethyl)acetamide
CID 113159416
N-(2-methoxyethyl)-2-[methyl-(2-oxocyclopentyl)amino]acetamide
CID 62036471
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
CID 62016627
2-[2-aminoethyl(cyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 102875295
2-[cyclopentyl(methylsulfonyl)amino]-N-(2-methoxyethyl)acetamide
CID 113148836
2-[azetidin-3-yl(methyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 66185736
N-(2-aminoethyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 61207694

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide (CID 79468067) is 2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)C1CCC(N)C1.
What is the InChIKey of 2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is VESSHMXRSDIMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-14(10-4-3-9(12)7-10)8-11(15)13-5-6-16-2/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 229.32 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 79468067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).