1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one

C8H17N3O — CID 143382983

IUPAC1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one
SMILESCC(C)C(N)N1CCCNC1=O
InChIInChI=1S/C8H17N3O/c1-6(2)7(9)11-5-3-4-10-8(11)12/h6-7H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyPDLLJYXNTZSXOQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.34
Rot. Bonds2

About 1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one

1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one (PubChem CID 143382983) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one
PubChem CID143382983
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one
SMILESCC(C)C(N)N1CCCNC1=O
InChIInChI=1S/C8H17N3O/c1-6(2)7(9)11-5-3-4-10-8(11)12/h6-7H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyPDLLJYXNTZSXOQ-UHFFFAOYSA-N
XLogP0.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one (CID 143382983) is 1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one is CC(C)C(N)N1CCCNC1=O.
What is the InChIKey of 1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one?
The InChIKey is PDLLJYXNTZSXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(2)7(9)11-5-3-4-10-8(11)12/h6-7H,3-5,9H2,1-2H3,(H,10,12).
What are the key properties of 1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one?
1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylpropyl)-1,3-diazinan-2-one is sourced from PubChem (CID 143382983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).