2-[1-(aminomethyl)cyclopentyl]oxy-N-butylacetamide

C12H24N2O2 — CID 65050653

IUPAC2-[1-(aminomethyl)cyclopentyl]oxy-N-butylacetamide
SMILESCCCCNC(=O)COC1(CN)CCCC1
InChIInChI=1S/C12H24N2O2/c1-2-3-8-14-11(15)9-16-12(10-13)6-4-5-7-12/h2-10,13H2,1H3,(H,14,15)
InChIKeyGETKXTPVCMLHHE-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.19
Rot. Bonds7

About 2-[1-(aminomethyl)cyclopentyl]oxy-N-butylacetamide

2-[1-(aminomethyl)cyclopentyl]oxy-N-butylacetamide (PubChem CID 65050653) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]oxy-N-butylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]oxy-N-butylacetamide
PubChem CID65050653
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[1-(aminomethyl)cyclopentyl]oxy-N-butylacetamide
SMILESCCCCNC(=O)COC1(CN)CCCC1
InChIInChI=1S/C12H24N2O2/c1-2-3-8-14-11(15)9-16-12(10-13)6-4-5-7-12/h2-10,13H2,1H3,(H,14,15)
InChIKeyGETKXTPVCMLHHE-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]oxy-N-butylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]oxy-N-butylacetamide (CID 65050653) is 2-[1-(aminomethyl)cyclopentyl]oxy-N-butylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]oxy-N-butylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]oxy-N-butylacetamide is CCCCNC(=O)COC1(CN)CCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]oxy-N-butylacetamide?
The InChIKey is GETKXTPVCMLHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-8-14-11(15)9-16-12(10-13)6-4-5-7-12/h2-10,13H2,1H3,(H,14,15).
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]oxy-N-butylacetamide?
2-[1-(aminomethyl)cyclopentyl]oxy-N-butylacetamide has a molecular weight of 228.34 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]oxy-N-butylacetamide is sourced from PubChem (CID 65050653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).