N-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide

C13H24N2O2 — CID 119568435

IUPACN-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide
SMILESC=CCCOC(C)C(=O)NC1(CN)CCCC1
InChIInChI=1S/C13H24N2O2/c1-3-4-9-17-11(2)12(16)15-13(10-14)7-5-6-8-13/h3,11H,1,4-10,14H2,2H3,(H,15,16)
InChIKeyAFWGVWDRJJEXAF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.36
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide

N-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide (PubChem CID 119568435) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide
PubChem CID119568435
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide
SMILESC=CCCOC(C)C(=O)NC1(CN)CCCC1
InChIInChI=1S/C13H24N2O2/c1-3-4-9-17-11(2)12(16)15-13(10-14)7-5-6-8-13/h3,11H,1,4-10,14H2,2H3,(H,15,16)
InChIKeyAFWGVWDRJJEXAF-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide (CID 119568435) is N-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide is C=CCCOC(C)C(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide?
The InChIKey is AFWGVWDRJJEXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-4-9-17-11(2)12(16)15-13(10-14)7-5-6-8-13/h3,11H,1,4-10,14H2,2H3,(H,15,16).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide?
N-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide has a molecular weight of 240.35 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide is sourced from PubChem (CID 119568435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).