1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one

C8H17N3O — CID 105434825

IUPAC1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one
SMILESCC(CN)N1CCCC(=O)N1C
InChIInChI=1S/C8H17N3O/c1-7(6-9)11-5-3-4-8(12)10(11)2/h7H,3-6,9H2,1-2H3
InChIKeyATENIHIKQCELLA-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.20
Rot. Bonds2

About 1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one

1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one (PubChem CID 105434825) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one
PubChem CID105434825
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one
SMILESCC(CN)N1CCCC(=O)N1C
InChIInChI=1S/C8H17N3O/c1-7(6-9)11-5-3-4-8(12)10(11)2/h7H,3-6,9H2,1-2H3
InChIKeyATENIHIKQCELLA-UHFFFAOYSA-N
XLogP-0.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one?
The IUPAC name of 1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one (CID 105434825) is 1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one?
The canonical SMILES for 1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one is CC(CN)N1CCCC(=O)N1C.
What is the InChIKey of 1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one?
The InChIKey is ATENIHIKQCELLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7(6-9)11-5-3-4-8(12)10(11)2/h7H,3-6,9H2,1-2H3.
What are the key properties of 1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one?
1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one has a molecular weight of 171.24 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one is sourced from PubChem (CID 105434825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).