5-N-decylpyridine-3,5-diamine

C15H27N3 — CID 104535317

IUPAC5-N-decylpyridine-3,5-diamine
SMILESCCCCCCCCCCNc1cncc(N)c1
InChIInChI=1S/C15H27N3/c1-2-3-4-5-6-7-8-9-10-18-15-11-14(16)12-17-13-15/h11-13,18H,2-10,16H2,1H3
InChIKeyHANIYQWESOURDE-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.22
Rot. Bonds10

About 5-N-decylpyridine-3,5-diamine

5-N-decylpyridine-3,5-diamine (PubChem CID 104535317) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-N-decylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-decylpyridine-3,5-diamine
PubChem CID104535317
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name5-N-decylpyridine-3,5-diamine
SMILESCCCCCCCCCCNc1cncc(N)c1
InChIInChI=1S/C15H27N3/c1-2-3-4-5-6-7-8-9-10-18-15-11-14(16)12-17-13-15/h11-13,18H,2-10,16H2,1H3
InChIKeyHANIYQWESOURDE-UHFFFAOYSA-N
XLogP4.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-N-decylpyridine-3,5-diamine 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

5-bromo-N-hexylpyridin-3-amine
CID 115656852
5-N-ethylpyridine-3,5-diamine
CID 104532571
5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine
CID 104534054
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
N-[3-[(5-amino-3-pyridinyl)amino]propyl]methanesulfonamide
CID 106332321
5-N-(2-methylsulfanylethyl)pyridine-3,5-diamine
CID 104534747
3-N-octadecylbenzene-1,3-diamine
CID 154090035
3-[(5-amino-3-pyridinyl)amino]propane-1-sulfonamide
CID 104533999
2-[(5-amino-3-pyridinyl)amino]ethanol;hydrochloride
CID 175403125
2-[(5-amino-3-pyridinyl)amino]ethanesulfonamide
CID 104532985
1-[(5-amino-3-pyridinyl)amino]-2-methylpentan-2-ol
CID 106296397
5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine
CID 113423694

Frequently Asked Questions

What is the IUPAC name of 5-N-decylpyridine-3,5-diamine?
The IUPAC name of 5-N-decylpyridine-3,5-diamine (CID 104535317) is 5-N-decylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-decylpyridine-3,5-diamine?
The canonical SMILES for 5-N-decylpyridine-3,5-diamine is CCCCCCCCCCNc1cncc(N)c1.
What is the InChIKey of 5-N-decylpyridine-3,5-diamine?
The InChIKey is HANIYQWESOURDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-2-3-4-5-6-7-8-9-10-18-15-11-14(16)12-17-13-15/h11-13,18H,2-10,16H2,1H3.
What are the key properties of 5-N-decylpyridine-3,5-diamine?
5-N-decylpyridine-3,5-diamine has a molecular weight of 249.40 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-decylpyridine-3,5-diamine is sourced from PubChem (CID 104535317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).