2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine

C15H28N4O — CID 61476370

IUPAC2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NC(CN(C)C)C(C)C)ccc1N
InChIInChI=1S/C15H28N4O/c1-6-9-20-15-12(16)7-8-14(18-15)17-13(11(2)3)10-19(4)5/h7-8,11,13H,6,9-10,16H2,1-5H3,(H,17,18)
InChIKeyNVBUNRCWEOEGCV-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.45
Rot. Bonds8

About 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine

2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine (PubChem CID 61476370) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine
PubChem CID61476370
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NC(CN(C)C)C(C)C)ccc1N
InChIInChI=1S/C15H28N4O/c1-6-9-20-15-12(16)7-8-14(18-15)17-13(11(2)3)10-19(4)5/h7-8,11,13H,6,9-10,16H2,1-5H3,(H,17,18)
InChIKeyNVBUNRCWEOEGCV-UHFFFAOYSA-N
XLogP2.45
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine
CID 54954505
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine
CID 82945420
2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine
CID 63402628
2-[(5-amino-6-propoxy-2-pyridinyl)amino]propanamide
CID 43545441
2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261174
2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine
CID 115324707
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-methyl-2-N-(2-methylbutyl)-6-propoxypyridine-2,5-diamine
CID 43295635
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

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine (CID 61476370) is 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine is CCCOc1nc(NC(CN(C)C)C(C)C)ccc1N.
What is the InChIKey of 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine?
The InChIKey is NVBUNRCWEOEGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-9-20-15-12(16)7-8-14(18-15)17-13(11(2)3)10-19(4)5/h7-8,11,13H,6,9-10,16H2,1-5H3,(H,17,18).
What are the key properties of 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine?
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine has a molecular weight of 280.42 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 61476370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).