1-(1-amino-2-cyclopropylpropan-2-yl)-1,3-diazinan-2-one

C10H19N3O — CID 115308301

IUPAC1-(1-amino-2-cyclopropylpropan-2-yl)-1,3-diazinan-2-one
SMILESCC(CN)(C1CC1)N1CCCNC1=O
InChIInChI=1S/C10H19N3O/c1-10(7-11,8-3-4-8)13-6-2-5-12-9(13)14/h8H,2-7,11H2,1H3,(H,12,14)
InChIKeyHLWDCDPAXIAWRS-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.53
Rot. Bonds3

About 1-(1-amino-2-cyclopropylpropan-2-yl)-1,3-diazinan-2-one

1-(1-amino-2-cyclopropylpropan-2-yl)-1,3-diazinan-2-one (PubChem CID 115308301) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(1-amino-2-cyclopropylpropan-2-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(1-amino-2-cyclopropylpropan-2-yl)-1,3-diazinan-2-one
PubChem CID115308301
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(1-amino-2-cyclopropylpropan-2-yl)-1,3-diazinan-2-one
SMILESCC(CN)(C1CC1)N1CCCNC1=O
InChIInChI=1S/C10H19N3O/c1-10(7-11,8-3-4-8)13-6-2-5-12-9(13)14/h8H,2-7,11H2,1H3,(H,12,14)
InChIKeyHLWDCDPAXIAWRS-UHFFFAOYSA-N
XLogP0.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.53
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-cyclopropylpropan-2-yl)-1,3-diazinan-2-one?
The IUPAC name of 1-(1-amino-2-cyclopropylpropan-2-yl)-1,3-diazinan-2-one (CID 115308301) is 1-(1-amino-2-cyclopropylpropan-2-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(1-amino-2-cyclopropylpropan-2-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(1-amino-2-cyclopropylpropan-2-yl)-1,3-diazinan-2-one is CC(CN)(C1CC1)N1CCCNC1=O.
What is the InChIKey of 1-(1-amino-2-cyclopropylpropan-2-yl)-1,3-diazinan-2-one?
The InChIKey is HLWDCDPAXIAWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(7-11,8-3-4-8)13-6-2-5-12-9(13)14/h8H,2-7,11H2,1H3,(H,12,14).
What are the key properties of 1-(1-amino-2-cyclopropylpropan-2-yl)-1,3-diazinan-2-one?
1-(1-amino-2-cyclopropylpropan-2-yl)-1,3-diazinan-2-one has a molecular weight of 197.28 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-cyclopropylpropan-2-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 115308301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).