2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine

C14H25N3O — CID 63004628

IUPAC2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)CCCNc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C14H25N3O/c1-10(2)6-5-9-16-13-8-7-12(15)14(17-13)18-11(3)4/h7-8,10-11H,5-6,9,15H2,1-4H3,(H,16,17)
InChIKeyUDPHZQLAWUBKIM-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.30
Rot. Bonds7

About 2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine

2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 63004628) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID63004628
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)CCCNc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C14H25N3O/c1-10(2)6-5-9-16-13-8-7-12(15)14(17-13)18-11(3)4/h7-8,10-11H,5-6,9,15H2,1-4H3,(H,16,17)
InChIKeyUDPHZQLAWUBKIM-UHFFFAOYSA-N
XLogP3.30
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.30
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
2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine
CID 115324707
6-N-(5-methylhexyl)pyridine-2,3,6-triamine
CID 115324674
6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine
CID 115324773
2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 113449896
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]acetic acid
CID 62253683
5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol
CID 106119798
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]pentan-2-ol
CID 114146045
2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxypyridine-2,5-diamine
CID 103004456
2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine
CID 114107323
3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43261814
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261264

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine (CID 63004628) is 2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine is CC(C)CCCNc1ccc(N)c(OC(C)C)n1.
What is the InChIKey of 2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is UDPHZQLAWUBKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)6-5-9-16-13-8-7-12(15)14(17-13)18-11(3)4/h7-8,10-11H,5-6,9,15H2,1-4H3,(H,16,17).
What are the key properties of 2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine?
2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 251.37 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 63004628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).