(5S)-5,9-diamino-2-methylnonan-4-one

C10H22N2O — CID 54186867

IUPAC(5S)-5,9-diamino-2-methylnonan-4-one
SMILESCC(C)CC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C10H22N2O/c1-8(2)7-10(13)9(12)5-3-4-6-11/h8-9H,3-7,11-12H2,1-2H3/t9-/m0/s1
InChIKeyPFRWMLKMJILBNC-VIFPVBQESA-N
MW186.30 g/mol
LogP1.06
Rot. Bonds7

About (5S)-5,9-diamino-2-methylnonan-4-one

(5S)-5,9-diamino-2-methylnonan-4-one (PubChem CID 54186867) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (5S)-5,9-diamino-2-methylnonan-4-one.

Molecular Properties

Compound Name(5S)-5,9-diamino-2-methylnonan-4-one
PubChem CID54186867
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(5S)-5,9-diamino-2-methylnonan-4-one
SMILESCC(C)CC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C10H22N2O/c1-8(2)7-10(13)9(12)5-3-4-6-11/h8-9H,3-7,11-12H2,1-2H3/t9-/m0/s1
InChIKeyPFRWMLKMJILBNC-VIFPVBQESA-N
XLogP1.06
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (5S)-5,9-diamino-2-methylnonan-4-one with MolForge

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

Launch Full Analysis

Related Compounds

3-Aminotridecan-4-one
CID 44216782
(S)-3-aminotridecan-4-one
CID 44216794
2-Octanone, 3-amino-
CID 437032
1-Acetyl-1,6-diaminohexane
CID 19831633
1-Acetyl-1,8-diaminooctane
CID 20254292
Diacetylhexamethylene diamine
CID 53752868
1-Acetyl-1,7-diaminoheptane
CID 129661749
1,4-Diamino-2,2-difluoro-6-methylheptan-3-one
CID 53683365
4-Amino-6-fluoro-2,6-dimethylheptan-3-one
CID 117813256
4-(Fluoroamino)-2,6-dimethylheptan-3-one
CID 123501856
8-Amino-4-[fluoro(methyl)amino]-2-methyloctan-3-one
CID 154955558
(S)-3-amintridecan-4-one-2,2-D2
CID 44216775

Frequently Asked Questions

What is the IUPAC name of (5S)-5,9-diamino-2-methylnonan-4-one?
The IUPAC name of (5S)-5,9-diamino-2-methylnonan-4-one (CID 54186867) is (5S)-5,9-diamino-2-methylnonan-4-one.
What is the SMILES notation for (5S)-5,9-diamino-2-methylnonan-4-one?
The canonical SMILES for (5S)-5,9-diamino-2-methylnonan-4-one is CC(C)CC(=O)[C@@H](N)CCCCN.
What is the InChIKey of (5S)-5,9-diamino-2-methylnonan-4-one?
The InChIKey is PFRWMLKMJILBNC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)7-10(13)9(12)5-3-4-6-11/h8-9H,3-7,11-12H2,1-2H3/t9-/m0/s1.
What are the key properties of (5S)-5,9-diamino-2-methylnonan-4-one?
(5S)-5,9-diamino-2-methylnonan-4-one has a molecular weight of 186.30 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5,9-diamino-2-methylnonan-4-one is sourced from PubChem (CID 54186867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).