N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutanamide

C13H23NO — CID 2931795

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H23NO/c1-11(2)10-13(15)14-9-8-12-6-4-3-5-7-12/h6,11H,3-5,7-10H2,1-2H3,(H,14,15)
InChIKeyPSQVEBHNNKWXGG-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.04
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutanamide (PubChem CID 2931795) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-methylbutanamide
PubChem CID2931795
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H23NO/c1-11(2)10-13(15)14-9-8-12-6-4-3-5-7-12/h6,11H,3-5,7-10H2,1-2H3,(H,14,15)
InChIKeyPSQVEBHNNKWXGG-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutanamide (CID 2931795) is N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutanamide is CC(C)CC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutanamide?
The InChIKey is PSQVEBHNNKWXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(2)10-13(15)14-9-8-12-6-4-3-5-7-12/h6,11H,3-5,7-10H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutanamide has a molecular weight of 209.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 2931795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).