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

C13H23NO — CID 70476973

IUPACN,N-diethyl-1,4-dimethylcyclohex-3-ene-1-carboxamide
SMILESCCN(CC)C(=O)C1(C)CC=C(C)CC1
InChIInChI=1S/C13H23NO/c1-5-14(6-2)12(15)13(4)9-7-11(3)8-10-13/h7H,5-6,8-10H2,1-4H3
InChIKeyJSCVGYYZGISGPG-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.99
Rot. Bonds3

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

N,N-diethyl-1,4-dimethylcyclohex-3-ene-1-carboxamide (PubChem CID 70476973) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N,N-diethyl-1,4-dimethylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1,4-dimethylcyclohex-3-ene-1-carboxamide
PubChem CID70476973
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN,N-diethyl-1,4-dimethylcyclohex-3-ene-1-carboxamide
SMILESCCN(CC)C(=O)C1(C)CC=C(C)CC1
InChIInChI=1S/C13H23NO/c1-5-14(6-2)12(15)13(4)9-7-11(3)8-10-13/h7H,5-6,8-10H2,1-4H3
InChIKeyJSCVGYYZGISGPG-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.99
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-1,4-dimethylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N,N-diethyl-1,4-dimethylcyclohex-3-ene-1-carboxamide (CID 70476973) is N,N-diethyl-1,4-dimethylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N,N-diethyl-1,4-dimethylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N,N-diethyl-1,4-dimethylcyclohex-3-ene-1-carboxamide is CCN(CC)C(=O)C1(C)CC=C(C)CC1.
What is the InChIKey of N,N-diethyl-1,4-dimethylcyclohex-3-ene-1-carboxamide?
The InChIKey is JSCVGYYZGISGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-14(6-2)12(15)13(4)9-7-11(3)8-10-13/h7H,5-6,8-10H2,1-4H3.
What are the key properties of N,N-diethyl-1,4-dimethylcyclohex-3-ene-1-carboxamide?
N,N-diethyl-1,4-dimethylcyclohex-3-ene-1-carboxamide has a molecular weight of 209.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,4-dimethylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 70476973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).