4-aminotridecan-6-one

C13H27NO — CID 116607784

IUPAC4-aminotridecan-6-one
SMILESCCCCCCCC(=O)CC(N)CCC
InChIInChI=1S/C13H27NO/c1-3-5-6-7-8-10-13(15)11-12(14)9-4-2/h12H,3-11,14H2,1-2H3
InChIKeyHBMWPQCULWZZLH-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.43
Rot. Bonds10

About 4-aminotridecan-6-one

4-aminotridecan-6-one (PubChem CID 116607784) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-aminotridecan-6-one.

Molecular Properties

Compound Name4-aminotridecan-6-one
PubChem CID116607784
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-aminotridecan-6-one
SMILESCCCCCCCC(=O)CC(N)CCC
InChIInChI=1S/C13H27NO/c1-3-5-6-7-8-10-13(15)11-12(14)9-4-2/h12H,3-11,14H2,1-2H3
InChIKeyHBMWPQCULWZZLH-UHFFFAOYSA-N
XLogP3.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-aminotridecan-6-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

6-aminononan-4-one
CID 116607782
4-aminotridec-12-en-6-one
CID 107010989
(2-amino-4-oxotridecyl) acetate
CID 161199425
4-methyltetradecan-6-one
CID 12635285
4-hydroxytricosan-6-one
CID 131751829
5-aminooctan-3-one
CID 116607745
19-aminooctatriacontane-18,21-dione
CID 163964320
2-methylhexadecan-4-one
CID 63411798
methyl 4-oxo-2-propyltridecanoate
CID 123983660
6,13,24,31-tetrahydroxyhexatriacontane-8,15,22,29-tetrone
CID 163056640
11-hydroxynonadecan-9-one
CID 100944351
12-methylhenicosan-10-one
CID 71761778

Frequently Asked Questions

What is the IUPAC name of 4-aminotridecan-6-one?
The IUPAC name of 4-aminotridecan-6-one (CID 116607784) is 4-aminotridecan-6-one.
What is the SMILES notation for 4-aminotridecan-6-one?
The canonical SMILES for 4-aminotridecan-6-one is CCCCCCCC(=O)CC(N)CCC.
What is the InChIKey of 4-aminotridecan-6-one?
The InChIKey is HBMWPQCULWZZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-6-7-8-10-13(15)11-12(14)9-4-2/h12H,3-11,14H2,1-2H3.
What are the key properties of 4-aminotridecan-6-one?
4-aminotridecan-6-one has a molecular weight of 213.36 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminotridecan-6-one is sourced from PubChem (CID 116607784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).