2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine

C15H27N3O — CID 63402628

IUPAC2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine
SMILESCCCCCC(C)Nc1ccc(N)c(OCCC)n1
InChIInChI=1S/C15H27N3O/c1-4-6-7-8-12(3)17-14-10-9-13(16)15(18-14)19-11-5-2/h9-10,12H,4-8,11,16H2,1-3H3,(H,17,18)
InChIKeyRETHTPPCTYVTHD-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.83
Rot. Bonds9

About 2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine

2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine (PubChem CID 63402628) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine
PubChem CID63402628
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine
SMILESCCCCCC(C)Nc1ccc(N)c(OCCC)n1
InChIInChI=1S/C15H27N3O/c1-4-6-7-8-12(3)17-14-10-9-13(16)15(18-14)19-11-5-2/h9-10,12H,4-8,11,16H2,1-3H3,(H,17,18)
InChIKeyRETHTPPCTYVTHD-UHFFFAOYSA-N
XLogP3.83
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N-heptan-2-yl-6-propoxypyridine-2,5-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

2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 63402670
2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine
CID 54954505
2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine
CID 115324707
2-[(5-amino-6-propoxy-2-pyridinyl)amino]propanamide
CID 43545441
4-N-heptan-2-ylpyrimidine-2,4-diamine
CID 80803742
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine
CID 61476370
2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine
CID 107819858
5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154613
6-propoxy-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine
CID 106217168
6-propoxy-2-N-(1-thiophen-3-ylethyl)pyridine-2,5-diamine
CID 62842553
6-N-octan-2-ylpyridine-2,6-diamine
CID 80648074

Frequently Asked Questions

What is the IUPAC name of 2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine (CID 63402628) is 2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine is CCCCCC(C)Nc1ccc(N)c(OCCC)n1.
What is the InChIKey of 2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine?
The InChIKey is RETHTPPCTYVTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-6-7-8-12(3)17-14-10-9-13(16)15(18-14)19-11-5-2/h9-10,12H,4-8,11,16H2,1-3H3,(H,17,18).
What are the key properties of 2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine?
2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine has a molecular weight of 265.40 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 63402628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).