2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine

C14H25N3O — CID 54954505

IUPAC2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NC(CC)C(C)C)ccc1N
InChIInChI=1S/C14H25N3O/c1-5-9-18-14-11(15)7-8-13(17-14)16-12(6-2)10(3)4/h7-8,10,12H,5-6,9,15H2,1-4H3,(H,16,17)
InChIKeyPSOABFZKMRVUFJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.30
Rot. Bonds7

About 2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine

2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine (PubChem CID 54954505) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine
PubChem CID54954505
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NC(CC)C(C)C)ccc1N
InChIInChI=1S/C14H25N3O/c1-5-9-18-14-11(15)7-8-13(17-14)16-12(6-2)10(3)4/h7-8,10,12H,5-6,9,15H2,1-4H3,(H,16,17)
InChIKeyPSOABFZKMRVUFJ-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

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Related Compounds

2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine
CID 61476370
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
2-[(5-amino-6-propoxy-2-pyridinyl)amino]propanamide
CID 43545441
2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine
CID 63402628
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
2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine
CID 115324707
2-N-cyclopropyl-6-propoxypyridine-2,5-diamine
CID 43260902
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248203
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
6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine
CID 43262302

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine (CID 54954505) is 2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine is CCCOc1nc(NC(CC)C(C)C)ccc1N.
What is the InChIKey of 2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine?
The InChIKey is PSOABFZKMRVUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-9-18-14-11(15)7-8-13(17-14)16-12(6-2)10(3)4/h7-8,10,12H,5-6,9,15H2,1-4H3,(H,16,17).
What are the key properties of 2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine?
2-N-(2-methylpentan-3-yl)-6-propoxypyridine-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-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 54954505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).