1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one

C12H22N2O2 — CID 104549525

IUPAC1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one
SMILESCC1CCCC(CO)(N2CCCNC2=O)C1
InChIInChI=1S/C12H22N2O2/c1-10-4-2-5-12(8-10,9-15)14-7-3-6-13-11(14)16/h10,15H,2-9H2,1H3,(H,13,16)
InChIKeyRNAAWWUBEUYDSU-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.34
Rot. Bonds2

About 1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one

1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one (PubChem CID 104549525) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one
PubChem CID104549525
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one
SMILESCC1CCCC(CO)(N2CCCNC2=O)C1
InChIInChI=1S/C12H22N2O2/c1-10-4-2-5-12(8-10,9-15)14-7-3-6-13-11(14)16/h10,15H,2-9H2,1H3,(H,13,16)
InChIKeyRNAAWWUBEUYDSU-UHFFFAOYSA-N
XLogP1.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one (CID 104549525) is 1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one is CC1CCCC(CO)(N2CCCNC2=O)C1.
What is the InChIKey of 1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one?
The InChIKey is RNAAWWUBEUYDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10-4-2-5-12(8-10,9-15)14-7-3-6-13-11(14)16/h10,15H,2-9H2,1H3,(H,13,16).
What are the key properties of 1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one?
1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one is sourced from PubChem (CID 104549525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).