N,N-diethyl-4-methylcyclohex-3-ene-1-carboxamide

C12H21NO — CID 14884218

IUPACN,N-diethyl-4-methylcyclohex-3-ene-1-carboxamide
SMILESCCN(CC)C(=O)C1CC=C(C)CC1
InChIInChI=1S/C12H21NO/c1-4-13(5-2)12(14)11-8-6-10(3)7-9-11/h6,11H,4-5,7-9H2,1-3H3
InChIKeyFZZVHOLMHQGOAG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds3

About N,N-diethyl-4-methylcyclohex-3-ene-1-carboxamide

N,N-diethyl-4-methylcyclohex-3-ene-1-carboxamide (PubChem CID 14884218) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N,N-diethyl-4-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-methylcyclohex-3-ene-1-carboxamide
PubChem CID14884218
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN,N-diethyl-4-methylcyclohex-3-ene-1-carboxamide
SMILESCCN(CC)C(=O)C1CC=C(C)CC1
InChIInChI=1S/C12H21NO/c1-4-13(5-2)12(14)11-8-6-10(3)7-9-11/h6,11H,4-5,7-9H2,1-3H3
InChIKeyFZZVHOLMHQGOAG-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
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,N-diethyl-4-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N,N-diethyl-4-methylcyclohex-3-ene-1-carboxamide (CID 14884218) is N,N-diethyl-4-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-methylcyclohex-3-ene-1-carboxamide is CCN(CC)C(=O)C1CC=C(C)CC1.
What is the InChIKey of N,N-diethyl-4-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is FZZVHOLMHQGOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-13(5-2)12(14)11-8-6-10(3)7-9-11/h6,11H,4-5,7-9H2,1-3H3.
What are the key properties of N,N-diethyl-4-methylcyclohex-3-ene-1-carboxamide?
N,N-diethyl-4-methylcyclohex-3-ene-1-carboxamide has a molecular weight of 195.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 14884218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).