2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine

C16H29N3O — CID 115324708

IUPAC2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCC(C)CCCCNc1ccc(N)c(OCC(C)C)n1
InChIInChI=1S/C16H29N3O/c1-12(2)7-5-6-10-18-15-9-8-14(17)16(19-15)20-11-13(3)4/h8-9,12-13H,5-7,10-11,17H2,1-4H3,(H,18,19)
InChIKeyQZTJNSMVRJYSSH-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.94
Rot. Bonds9

About 2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine

2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine (PubChem CID 115324708) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
PubChem CID115324708
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCC(C)CCCCNc1ccc(N)c(OCC(C)C)n1
InChIInChI=1S/C16H29N3O/c1-12(2)7-5-6-10-18-15-9-8-14(17)16(19-15)20-11-13(3)4/h8-9,12-13H,5-7,10-11,17H2,1-4H3,(H,18,19)
InChIKeyQZTJNSMVRJYSSH-UHFFFAOYSA-N
XLogP3.94
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.94
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-propoxypyridine-2,5-diamine
CID 115324707
3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43261814
4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide
CID 60863727
6-(2-methylpropoxy)-2-N-(4,4,4-trifluorobutyl)pyridine-2,5-diamine
CID 115515323
6-N-(5-methylhexyl)pyridine-2,3,6-triamine
CID 115324674
2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63004628
6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine
CID 115324773
2-N-[2-[ethyl(methyl)amino]ethyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 62636467
2-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 62975170
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 114150970
6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine
CID 64548244
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-(2-methylpropoxy)pyridine-2,5-diamine?
The IUPAC name of 2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine (CID 115324708) is 2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine is CC(C)CCCCNc1ccc(N)c(OCC(C)C)n1.
What is the InChIKey of 2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
The InChIKey is QZTJNSMVRJYSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)7-5-6-10-18-15-9-8-14(17)16(19-15)20-11-13(3)4/h8-9,12-13H,5-7,10-11,17H2,1-4H3,(H,18,19).
What are the key properties of 2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine has a molecular weight of 279.43 g/mol, XLogP of 3.94, 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-(2-methylpropoxy)pyridine-2,5-diamine is sourced from PubChem (CID 115324708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).