5-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylpentanamide

C13H24N2O — CID 82011113

IUPAC5-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)NCC1CC=CCC1
InChIInChI=1S/C13H24N2O/c1-11(9-14)7-8-13(16)15-10-12-5-3-2-4-6-12/h2-3,11-12H,4-10,14H2,1H3,(H,15,16)
InChIKeyPFBZYDUXUQRQLS-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.83
Rot. Bonds6

About 5-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylpentanamide

5-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylpentanamide (PubChem CID 82011113) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylpentanamide
PubChem CID82011113
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name5-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)NCC1CC=CCC1
InChIInChI=1S/C13H24N2O/c1-11(9-14)7-8-13(16)15-10-12-5-3-2-4-6-12/h2-3,11-12H,4-10,14H2,1H3,(H,15,16)
InChIKeyPFBZYDUXUQRQLS-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylpentanamide (CID 82011113) is 5-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylpentanamide is CC(CN)CCC(=O)NCC1CC=CCC1.
What is the InChIKey of 5-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylpentanamide?
The InChIKey is PFBZYDUXUQRQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(9-14)7-8-13(16)15-10-12-5-3-2-4-6-12/h2-3,11-12H,4-10,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylpentanamide?
5-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylpentanamide has a molecular weight of 224.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylpentanamide is sourced from PubChem (CID 82011113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).