1-(diazinan-1-yl)-3-methylbutan-1-one

C9H18N2O — CID 126990065

IUPAC1-(diazinan-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCCCN1
InChIInChI=1S/C9H18N2O/c1-8(2)7-9(12)11-6-4-3-5-10-11/h8,10H,3-7H2,1-2H3
InChIKeyJZORRRVHVLAUSZ-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.16
Rot. Bonds2

About 1-(diazinan-1-yl)-3-methylbutan-1-one

1-(diazinan-1-yl)-3-methylbutan-1-one (PubChem CID 126990065) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(diazinan-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(diazinan-1-yl)-3-methylbutan-1-one
PubChem CID126990065
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(diazinan-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCCCN1
InChIInChI=1S/C9H18N2O/c1-8(2)7-9(12)11-6-4-3-5-10-11/h8,10H,3-7H2,1-2H3
InChIKeyJZORRRVHVLAUSZ-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(diazinan-1-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(diazinan-1-yl)-3-methylbutan-1-one (CID 126990065) is 1-(diazinan-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(diazinan-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(diazinan-1-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1CCCCN1.
What is the InChIKey of 1-(diazinan-1-yl)-3-methylbutan-1-one?
The InChIKey is JZORRRVHVLAUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(2)7-9(12)11-6-4-3-5-10-11/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-(diazinan-1-yl)-3-methylbutan-1-one?
1-(diazinan-1-yl)-3-methylbutan-1-one has a molecular weight of 170.26 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazinan-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 126990065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).