2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one

C11H21N3O — CID 105465353

IUPAC2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one
SMILESCC(N)CCN1C(=O)CCCN1C1CC1
InChIInChI=1S/C11H21N3O/c1-9(12)6-8-14-11(15)3-2-7-13(14)10-4-5-10/h9-10H,2-8,12H2,1H3
InChIKeyXPVNNSJWKLYENP-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.73
Rot. Bonds4

About 2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one

2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one (PubChem CID 105465353) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one.

Molecular Properties

Compound Name2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one
PubChem CID105465353
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one
SMILESCC(N)CCN1C(=O)CCCN1C1CC1
InChIInChI=1S/C11H21N3O/c1-9(12)6-8-14-11(15)3-2-7-13(14)10-4-5-10/h9-10H,2-8,12H2,1H3
InChIKeyXPVNNSJWKLYENP-UHFFFAOYSA-N
XLogP0.73
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one?
The IUPAC name of 2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one (CID 105465353) is 2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one.
What is the SMILES notation for 2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one?
The canonical SMILES for 2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one is CC(N)CCN1C(=O)CCCN1C1CC1.
What is the InChIKey of 2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one?
The InChIKey is XPVNNSJWKLYENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(12)6-8-14-11(15)3-2-7-13(14)10-4-5-10/h9-10H,2-8,12H2,1H3.
What are the key properties of 2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one?
2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one has a molecular weight of 211.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutyl)-1-cyclopropyldiazinan-3-one is sourced from PubChem (CID 105465353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).