2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-methoxypentanamide

C14H26N2O2 — CID 81082236

IUPAC2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H26N2O2/c1-18-11-5-8-13(15)14(17)16-10-9-12-6-3-2-4-7-12/h6,13H,2-5,7-11,15H2,1H3,(H,16,17)
InChIKeyCVPAKDHXSJBFEX-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.75
Rot. Bonds8

About 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-methoxypentanamide

2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-methoxypentanamide (PubChem CID 81082236) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-methoxypentanamide
PubChem CID81082236
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H26N2O2/c1-18-11-5-8-13(15)14(17)16-10-9-12-6-3-2-4-7-12/h6,13H,2-5,7-11,15H2,1H3,(H,16,17)
InChIKeyCVPAKDHXSJBFEX-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.75
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-[2-(cyclohexen-1-yl)ethyl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-methoxypentanamide (CID 81082236) is 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-methoxypentanamide is COCCCC(N)C(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-methoxypentanamide?
The InChIKey is CVPAKDHXSJBFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-11-5-8-13(15)14(17)16-10-9-12-6-3-2-4-7-12/h6,13H,2-5,7-11,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-methoxypentanamide?
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-methoxypentanamide has a molecular weight of 254.37 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-methoxypentanamide is sourced from PubChem (CID 81082236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).