(2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-one

C9H20N2O — CID 59409055

IUPAC(2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-one
SMILESCC(C)C(=O)[C@H](C)NC[C@H](C)N
InChIInChI=1S/C9H20N2O/c1-6(2)9(12)8(4)11-5-7(3)10/h6-8,11H,5,10H2,1-4H3/t7-,8-/m0/s1
InChIKeyJBGDRJNKYIEQIT-YUMQZZPRSA-N
MW172.27 g/mol
LogP0.54
Rot. Bonds5

About (2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-one

(2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-one (PubChem CID 59409055) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-one.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-one
PubChem CID59409055
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-one
SMILESCC(C)C(=O)[C@H](C)NC[C@H](C)N
InChIInChI=1S/C9H20N2O/c1-6(2)9(12)8(4)11-5-7(3)10/h6-8,11H,5,10H2,1-4H3/t7-,8-/m0/s1
InChIKeyJBGDRJNKYIEQIT-YUMQZZPRSA-N
XLogP0.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-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 (2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-one?
The IUPAC name of (2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-one (CID 59409055) is (2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-one.
What is the SMILES notation for (2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-one?
The canonical SMILES for (2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-one is CC(C)C(=O)[C@H](C)NC[C@H](C)N.
What is the InChIKey of (2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-one?
The InChIKey is JBGDRJNKYIEQIT-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6(2)9(12)8(4)11-5-7(3)10/h6-8,11H,5,10H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-one?
(2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-one has a molecular weight of 172.27 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-aminopropyl]amino]-4-methylpentan-3-one is sourced from PubChem (CID 59409055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).