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

Name: 1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₂₂N₂O₂ — CID 105467991

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one
PubChem CID	105467991
Molecular Formula	C₁₁H₂₂N₂O₂
Molecular Weight	214.31 g/mol
Exact Mass	214.17
IUPAC Name	1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one
SMILES	CC(C)CN1C(=O)CCCN1CCCO
InChI	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
InChIKey	HRCIMXPCRXKTLF-UHFFFAOYSA-N
XLogP	0.86
TPSA	43.78 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	214.31
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 105467991 — identifiers, structure, computed properties (public domain)

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