1-(2-cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one

C15H28N2O — CID 21025306

IUPAC1-(2-cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)N1CCCN(CCC2CCCCC2)C1=O
InChIInChI=1S/C15H28N2O/c1-13(2)17-11-6-10-16(15(17)18)12-9-14-7-4-3-5-8-14/h13-14H,3-12H2,1-2H3
InChIKeyCNSBGMFPRYPRHN-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.49
Rot. Bonds4

About 1-(2-cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one

1-(2-cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one (PubChem CID 21025306) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one
PubChem CID21025306
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(2-cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)N1CCCN(CCC2CCCCC2)C1=O
InChIInChI=1S/C15H28N2O/c1-13(2)17-11-6-10-16(15(17)18)12-9-14-7-4-3-5-8-14/h13-14H,3-12H2,1-2H3
InChIKeyCNSBGMFPRYPRHN-UHFFFAOYSA-N
XLogP3.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one 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 1-(2-cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one?
The IUPAC name of 1-(2-cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one (CID 21025306) is 1-(2-cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one is CC(C)N1CCCN(CCC2CCCCC2)C1=O.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one?
The InChIKey is CNSBGMFPRYPRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2)17-11-6-10-16(15(17)18)12-9-14-7-4-3-5-8-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-(2-cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one?
1-(2-cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one has a molecular weight of 252.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-propan-2-yl-1,3-diazinan-2-one is sourced from PubChem (CID 21025306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).