1-(3-aminopropyl)-3-methyl-1,3-diazinan-2-one

C8H17N3O — CID 67036783

IUPAC1-(3-aminopropyl)-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(CCCN)C1=O
InChIInChI=1S/C8H17N3O/c1-10-5-3-7-11(8(10)12)6-2-4-9/h2-7,9H2,1H3
InChIKeyFLCYNRQLWKOFFJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.09
Rot. Bonds3

About 1-(3-aminopropyl)-3-methyl-1,3-diazinan-2-one

1-(3-aminopropyl)-3-methyl-1,3-diazinan-2-one (PubChem CID 67036783) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-methyl-1,3-diazinan-2-one
PubChem CID67036783
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-(3-aminopropyl)-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(CCCN)C1=O
InChIInChI=1S/C8H17N3O/c1-10-5-3-7-11(8(10)12)6-2-4-9/h2-7,9H2,1H3
InChIKeyFLCYNRQLWKOFFJ-UHFFFAOYSA-N
XLogP0.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-methyl-1,3-diazinan-2-one?
The IUPAC name of 1-(3-aminopropyl)-3-methyl-1,3-diazinan-2-one (CID 67036783) is 1-(3-aminopropyl)-3-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-3-methyl-1,3-diazinan-2-one?
The canonical SMILES for 1-(3-aminopropyl)-3-methyl-1,3-diazinan-2-one is CN1CCCN(CCCN)C1=O.
What is the InChIKey of 1-(3-aminopropyl)-3-methyl-1,3-diazinan-2-one?
The InChIKey is FLCYNRQLWKOFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10-5-3-7-11(8(10)12)6-2-4-9/h2-7,9H2,1H3.
What are the key properties of 1-(3-aminopropyl)-3-methyl-1,3-diazinan-2-one?
1-(3-aminopropyl)-3-methyl-1,3-diazinan-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 67036783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).