2-amino-N-(cyclohex-3-en-1-ylmethyl)-5-methoxypentanamide

C13H24N2O2 — CID 81089400

IUPAC2-amino-N-(cyclohex-3-en-1-ylmethyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCC1CC=CCC1
InChIInChI=1S/C13H24N2O2/c1-17-9-5-8-12(14)13(16)15-10-11-6-3-2-4-7-11/h2-3,11-12H,4-10,14H2,1H3,(H,15,16)
InChIKeyCOAXXDUHHWBWIE-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.21
Rot. Bonds7

About 2-amino-N-(cyclohex-3-en-1-ylmethyl)-5-methoxypentanamide

2-amino-N-(cyclohex-3-en-1-ylmethyl)-5-methoxypentanamide (PubChem CID 81089400) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-amino-N-(cyclohex-3-en-1-ylmethyl)-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-(cyclohex-3-en-1-ylmethyl)-5-methoxypentanamide
PubChem CID81089400
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-amino-N-(cyclohex-3-en-1-ylmethyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCC1CC=CCC1
InChIInChI=1S/C13H24N2O2/c1-17-9-5-8-12(14)13(16)15-10-11-6-3-2-4-7-11/h2-3,11-12H,4-10,14H2,1H3,(H,15,16)
InChIKeyCOAXXDUHHWBWIE-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
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 2-amino-N-(cyclohex-3-en-1-ylmethyl)-5-methoxypentanamide?
The IUPAC name of 2-amino-N-(cyclohex-3-en-1-ylmethyl)-5-methoxypentanamide (CID 81089400) is 2-amino-N-(cyclohex-3-en-1-ylmethyl)-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-(cyclohex-3-en-1-ylmethyl)-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-(cyclohex-3-en-1-ylmethyl)-5-methoxypentanamide is COCCCC(N)C(=O)NCC1CC=CCC1.
What is the InChIKey of 2-amino-N-(cyclohex-3-en-1-ylmethyl)-5-methoxypentanamide?
The InChIKey is COAXXDUHHWBWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-17-9-5-8-12(14)13(16)15-10-11-6-3-2-4-7-11/h2-3,11-12H,4-10,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(cyclohex-3-en-1-ylmethyl)-5-methoxypentanamide?
2-amino-N-(cyclohex-3-en-1-ylmethyl)-5-methoxypentanamide has a molecular weight of 240.35 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclohex-3-en-1-ylmethyl)-5-methoxypentanamide is sourced from PubChem (CID 81089400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).