N-[2-(cyclohexen-1-yl)cyclohexyl]-2-methylpropanamide

C16H27NO — CID 91382224

IUPACN-[2-(cyclohexen-1-yl)cyclohexyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCCC1C1=CCCCC1
InChIInChI=1S/C16H27NO/c1-12(2)16(18)17-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h8,12,14-15H,3-7,9-11H2,1-2H3,(H,17,18)
InChIKeyPECBNWMJBHHATC-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.82
Rot. Bonds3

About N-[2-(cyclohexen-1-yl)cyclohexyl]-2-methylpropanamide

N-[2-(cyclohexen-1-yl)cyclohexyl]-2-methylpropanamide (PubChem CID 91382224) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)cyclohexyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)cyclohexyl]-2-methylpropanamide
PubChem CID91382224
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[2-(cyclohexen-1-yl)cyclohexyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCCC1C1=CCCCC1
InChIInChI=1S/C16H27NO/c1-12(2)16(18)17-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h8,12,14-15H,3-7,9-11H2,1-2H3,(H,17,18)
InChIKeyPECBNWMJBHHATC-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.82
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)cyclohexyl]-2-methylpropanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)cyclohexyl]-2-methylpropanamide (CID 91382224) is N-[2-(cyclohexen-1-yl)cyclohexyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)cyclohexyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)cyclohexyl]-2-methylpropanamide is CC(C)C(=O)NC1CCCCC1C1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)cyclohexyl]-2-methylpropanamide?
The InChIKey is PECBNWMJBHHATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)16(18)17-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h8,12,14-15H,3-7,9-11H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(cyclohexen-1-yl)cyclohexyl]-2-methylpropanamide?
N-[2-(cyclohexen-1-yl)cyclohexyl]-2-methylpropanamide has a molecular weight of 249.40 g/mol, XLogP of 3.82, 3 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)cyclohexyl]-2-methylpropanamide is sourced from PubChem (CID 91382224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).