N-[2-(aminomethyl)cyclopentyl]-3-propoxypropanamide

C12H24N2O2 — CID 62956039

IUPACN-[2-(aminomethyl)cyclopentyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1CCCC1CN
InChIInChI=1S/C12H24N2O2/c1-2-7-16-8-6-12(15)14-11-5-3-4-10(11)9-13/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyMECQYFYLGXCQNX-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-3-propoxypropanamide

N-[2-(aminomethyl)cyclopentyl]-3-propoxypropanamide (PubChem CID 62956039) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-propoxypropanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-propoxypropanamide
PubChem CID62956039
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1CCCC1CN
InChIInChI=1S/C12H24N2O2/c1-2-7-16-8-6-12(15)14-11-5-3-4-10(11)9-13/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyMECQYFYLGXCQNX-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
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 N-[2-(aminomethyl)cyclopentyl]-3-propoxypropanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-propoxypropanamide (CID 62956039) is N-[2-(aminomethyl)cyclopentyl]-3-propoxypropanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-propoxypropanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-propoxypropanamide is CCCOCCC(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-propoxypropanamide?
The InChIKey is MECQYFYLGXCQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-7-16-8-6-12(15)14-11-5-3-4-10(11)9-13/h10-11H,2-9,13H2,1H3,(H,14,15).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-propoxypropanamide?
N-[2-(aminomethyl)cyclopentyl]-3-propoxypropanamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-propoxypropanamide is sourced from PubChem (CID 62956039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).