6-hydroxy-N,N-di(propan-2-yl)cyclohexene-1-carboxamide

C13H23NO2 — CID 12947857

IUPAC6-hydroxy-N,N-di(propan-2-yl)cyclohexene-1-carboxamide
SMILESCC(C)N(C(=O)C1=CCCCC1O)C(C)C
InChIInChI=1S/C13H23NO2/c1-9(2)14(10(3)4)13(16)11-7-5-6-8-12(11)15/h7,9-10,12,15H,5-6,8H2,1-4H3
InChIKeyMSYLDUIOLQSKIG-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.10
Rot. Bonds3

About 6-hydroxy-N,N-di(propan-2-yl)cyclohexene-1-carboxamide

6-hydroxy-N,N-di(propan-2-yl)cyclohexene-1-carboxamide (PubChem CID 12947857) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 6-hydroxy-N,N-di(propan-2-yl)cyclohexene-1-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N,N-di(propan-2-yl)cyclohexene-1-carboxamide
PubChem CID12947857
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name6-hydroxy-N,N-di(propan-2-yl)cyclohexene-1-carboxamide
SMILESCC(C)N(C(=O)C1=CCCCC1O)C(C)C
InChIInChI=1S/C13H23NO2/c1-9(2)14(10(3)4)13(16)11-7-5-6-8-12(11)15/h7,9-10,12,15H,5-6,8H2,1-4H3
InChIKeyMSYLDUIOLQSKIG-UHFFFAOYSA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-hydroxy-N,N-di(propan-2-yl)cyclohexene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N,N-di(propan-2-yl)cyclohexene-1-carboxamide?
The IUPAC name of 6-hydroxy-N,N-di(propan-2-yl)cyclohexene-1-carboxamide (CID 12947857) is 6-hydroxy-N,N-di(propan-2-yl)cyclohexene-1-carboxamide.
What is the SMILES notation for 6-hydroxy-N,N-di(propan-2-yl)cyclohexene-1-carboxamide?
The canonical SMILES for 6-hydroxy-N,N-di(propan-2-yl)cyclohexene-1-carboxamide is CC(C)N(C(=O)C1=CCCCC1O)C(C)C.
What is the InChIKey of 6-hydroxy-N,N-di(propan-2-yl)cyclohexene-1-carboxamide?
The InChIKey is MSYLDUIOLQSKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(2)14(10(3)4)13(16)11-7-5-6-8-12(11)15/h7,9-10,12,15H,5-6,8H2,1-4H3.
What are the key properties of 6-hydroxy-N,N-di(propan-2-yl)cyclohexene-1-carboxamide?
6-hydroxy-N,N-di(propan-2-yl)cyclohexene-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N,N-di(propan-2-yl)cyclohexene-1-carboxamide is sourced from PubChem (CID 12947857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).