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

C7H15N3O — CID 11040953

IUPAC1-(3-aminopropyl)-1,3-diazinan-2-one
SMILESNCCCN1CCCNC1=O
InChIInChI=1S/C7H15N3O/c8-3-1-5-10-6-2-4-9-7(10)11/h1-6,8H2,(H,9,11)
InChIKeyHQXKCSSNQJUVML-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.25
Rot. Bonds3

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

1-(3-aminopropyl)-1,3-diazinan-2-one (PubChem CID 11040953) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-(3-aminopropyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-1,3-diazinan-2-one
PubChem CID11040953
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-(3-aminopropyl)-1,3-diazinan-2-one
SMILESNCCCN1CCCNC1=O
InChIInChI=1S/C7H15N3O/c8-3-1-5-10-6-2-4-9-7(10)11/h1-6,8H2,(H,9,11)
InChIKeyHQXKCSSNQJUVML-UHFFFAOYSA-N
XLogP-0.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(3-aminopropyl)-1,3-diazinan-2-one (CID 11040953) is 1-(3-aminopropyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(3-aminopropyl)-1,3-diazinan-2-one is NCCCN1CCCNC1=O.
What is the InChIKey of 1-(3-aminopropyl)-1,3-diazinan-2-one?
The InChIKey is HQXKCSSNQJUVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-3-1-5-10-6-2-4-9-7(10)11/h1-6,8H2,(H,9,11).
What are the key properties of 1-(3-aminopropyl)-1,3-diazinan-2-one?
1-(3-aminopropyl)-1,3-diazinan-2-one has a molecular weight of 157.22 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-1,3-diazinan-2-one is sourced from PubChem (CID 11040953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).