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

C14H25NO — CID 3591890

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H25NO/c1-14(2,3)11-13(16)15-10-9-12-7-5-4-6-8-12/h7H,4-6,8-11H2,1-3H3,(H,15,16)
InChIKeyZYHYFCKLBQKCRO-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.43
Rot. Bonds4

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

N-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethylbutanamide (PubChem CID 3591890) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethylbutanamide
PubChem CID3591890
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H25NO/c1-14(2,3)11-13(16)15-10-9-12-7-5-4-6-8-12/h7H,4-6,8-11H2,1-3H3,(H,15,16)
InChIKeyZYHYFCKLBQKCRO-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethylbutanamide (CID 3591890) is N-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is ZYHYFCKLBQKCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-14(2,3)11-13(16)15-10-9-12-7-5-4-6-8-12/h7H,4-6,8-11H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethylbutanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 223.36 g/mol, XLogP of 3.43, 4 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]-3,3-dimethylbutanamide is sourced from PubChem (CID 3591890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).