3-amino-1-(cyclopropylamino)heptan-2-one

C10H20N2O — CID 10103872

IUPAC3-amino-1-(cyclopropylamino)heptan-2-one
SMILESCCCCC(N)C(=O)CNC1CC1
InChIInChI=1S/C10H20N2O/c1-2-3-4-9(11)10(13)7-12-8-5-6-8/h8-9,12H,2-7,11H2,1H3
InChIKeyRRBXQUJIDMTEET-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.82
Rot. Bonds7

About 3-amino-1-(cyclopropylamino)heptan-2-one

3-amino-1-(cyclopropylamino)heptan-2-one (PubChem CID 10103872) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-amino-1-(cyclopropylamino)heptan-2-one.

Molecular Properties

Compound Name3-amino-1-(cyclopropylamino)heptan-2-one
PubChem CID10103872
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-amino-1-(cyclopropylamino)heptan-2-one
SMILESCCCCC(N)C(=O)CNC1CC1
InChIInChI=1S/C10H20N2O/c1-2-3-4-9(11)10(13)7-12-8-5-6-8/h8-9,12H,2-7,11H2,1H3
InChIKeyRRBXQUJIDMTEET-UHFFFAOYSA-N
XLogP0.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(cyclopropylamino)heptan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclopropylamino)heptan-2-one?
The IUPAC name of 3-amino-1-(cyclopropylamino)heptan-2-one (CID 10103872) is 3-amino-1-(cyclopropylamino)heptan-2-one.
What is the SMILES notation for 3-amino-1-(cyclopropylamino)heptan-2-one?
The canonical SMILES for 3-amino-1-(cyclopropylamino)heptan-2-one is CCCCC(N)C(=O)CNC1CC1.
What is the InChIKey of 3-amino-1-(cyclopropylamino)heptan-2-one?
The InChIKey is RRBXQUJIDMTEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-3-4-9(11)10(13)7-12-8-5-6-8/h8-9,12H,2-7,11H2,1H3.
What are the key properties of 3-amino-1-(cyclopropylamino)heptan-2-one?
3-amino-1-(cyclopropylamino)heptan-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclopropylamino)heptan-2-one is sourced from PubChem (CID 10103872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).