2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine

C15H27N3O — CID 115324707

IUPAC2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NCCCCC(C)C)ccc1N
InChIInChI=1S/C15H27N3O/c1-4-11-19-15-13(16)8-9-14(18-15)17-10-6-5-7-12(2)3/h8-9,12H,4-7,10-11,16H2,1-3H3,(H,17,18)
InChIKeyFKFJAHQSQXUTGF-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.69
Rot. Bonds9

About 2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine

2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine (PubChem CID 115324707) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine
PubChem CID115324707
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NCCCCC(C)C)ccc1N
InChIInChI=1S/C15H27N3O/c1-4-11-19-15-13(16)8-9-14(18-15)17-10-6-5-7-12(2)3/h8-9,12H,4-7,10-11,16H2,1-3H3,(H,17,18)
InChIKeyFKFJAHQSQXUTGF-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 115324708
5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154613
6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine
CID 115324773
2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261174
2-N-[3-(diethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261118
6-N-(5-methylhexyl)pyridine-2,3,6-triamine
CID 115324674
2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63004628
2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine
CID 63402628
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine
CID 107819858
1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151147
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]pentan-2-ol
CID 114146045

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine (CID 115324707) is 2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine is CCCOc1nc(NCCCCC(C)C)ccc1N.
What is the InChIKey of 2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine?
The InChIKey is FKFJAHQSQXUTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-11-19-15-13(16)8-9-14(18-15)17-10-6-5-7-12(2)3/h8-9,12H,4-7,10-11,16H2,1-3H3,(H,17,18).
What are the key properties of 2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine?
2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine has a molecular weight of 265.40 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 115324707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).