N-(4,4-dimethylcyclohex-2-en-1-yl)hexanamide

C14H25NO — CID 154723490

IUPACN-(4,4-dimethylcyclohex-2-en-1-yl)hexanamide
SMILESCCCCCC(=O)NC1C=CC(C)(C)CC1
InChIInChI=1S/C14H25NO/c1-4-5-6-7-13(16)15-12-8-10-14(2,3)11-9-12/h8,10,12H,4-7,9,11H2,1-3H3,(H,15,16)
InChIKeySEJMKPFHMCFLEY-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.43
Rot. Bonds5

About N-(4,4-dimethylcyclohex-2-en-1-yl)hexanamide

N-(4,4-dimethylcyclohex-2-en-1-yl)hexanamide (PubChem CID 154723490) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohex-2-en-1-yl)hexanamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohex-2-en-1-yl)hexanamide
PubChem CID154723490
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(4,4-dimethylcyclohex-2-en-1-yl)hexanamide
SMILESCCCCCC(=O)NC1C=CC(C)(C)CC1
InChIInChI=1S/C14H25NO/c1-4-5-6-7-13(16)15-12-8-10-14(2,3)11-9-12/h8,10,12H,4-7,9,11H2,1-3H3,(H,15,16)
InChIKeySEJMKPFHMCFLEY-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(4,4-dimethylcyclohex-2-en-1-yl)hexanamide?
The IUPAC name of N-(4,4-dimethylcyclohex-2-en-1-yl)hexanamide (CID 154723490) is N-(4,4-dimethylcyclohex-2-en-1-yl)hexanamide.
What is the SMILES notation for N-(4,4-dimethylcyclohex-2-en-1-yl)hexanamide?
The canonical SMILES for N-(4,4-dimethylcyclohex-2-en-1-yl)hexanamide is CCCCCC(=O)NC1C=CC(C)(C)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohex-2-en-1-yl)hexanamide?
The InChIKey is SEJMKPFHMCFLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-5-6-7-13(16)15-12-8-10-14(2,3)11-9-12/h8,10,12H,4-7,9,11H2,1-3H3,(H,15,16).
What are the key properties of N-(4,4-dimethylcyclohex-2-en-1-yl)hexanamide?
N-(4,4-dimethylcyclohex-2-en-1-yl)hexanamide has a molecular weight of 223.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohex-2-en-1-yl)hexanamide is sourced from PubChem (CID 154723490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).