1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one

C11H22N2O2 — CID 105467991

IUPAC1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one
SMILESCC(C)CN1C(=O)CCCN1CCCO
InChIInChI=1S/C11H22N2O2/c1-10(2)9-13-11(15)5-3-6-12(13)7-4-8-14/h10,14H,3-9H2,1-2H3
InChIKeyHRCIMXPCRXKTLF-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.86
Rot. Bonds5

About 1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one

1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one (PubChem CID 105467991) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one
PubChem CID105467991
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one
SMILESCC(C)CN1C(=O)CCCN1CCCO
InChIInChI=1S/C11H22N2O2/c1-10(2)9-13-11(15)5-3-6-12(13)7-4-8-14/h10,14H,3-9H2,1-2H3
InChIKeyHRCIMXPCRXKTLF-UHFFFAOYSA-N
XLogP0.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid
CID 105467640
2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one
CID 105442215
1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one
CID 105442196
1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349
2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid
CID 105452768
1-(2-amino-2-methylpropyl)-2-(2-methylpropyl)pyrazolidin-3-one
CID 105467132
2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one
CID 105468014
1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 104550452
1-(5-hydroxy-4-methylpentyl)piperidin-2-one
CID 106159311
2-(3-aminobutyl)-1-ethyldiazinan-3-one
CID 105452412
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
CID 104550322

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one?
The IUPAC name of 1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one (CID 105467991) is 1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one?
The canonical SMILES for 1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one is CC(C)CN1C(=O)CCCN1CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one?
The InChIKey is HRCIMXPCRXKTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2)9-13-11(15)5-3-6-12(13)7-4-8-14/h10,14H,3-9H2,1-2H3.
What are the key properties of 1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one?
1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one has a molecular weight of 214.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one is sourced from PubChem (CID 105467991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).