2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine

C12H22N4O — CID 82945420

IUPAC2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine
SMILESCCOc1nc(NC(C)CN(C)C)ccc1N
InChIInChI=1S/C12H22N4O/c1-5-17-12-10(13)6-7-11(15-12)14-9(2)8-16(3)4/h6-7,9H,5,8,13H2,1-4H3,(H,14,15)
InChIKeyDASONCKHJKYMOS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.42
Rot. Bonds6

About 2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine

2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine (PubChem CID 82945420) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine
PubChem CID82945420
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine
SMILESCCOc1nc(NC(C)CN(C)C)ccc1N
InChIInChI=1S/C12H22N4O/c1-5-17-12-10(13)6-7-11(15-12)14-9(2)8-16(3)4/h6-7,9H,5,8,13H2,1-4H3,(H,14,15)
InChIKeyDASONCKHJKYMOS-UHFFFAOYSA-N
XLogP1.42
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine?
The IUPAC name of 2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine (CID 82945420) is 2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine is CCOc1nc(NC(C)CN(C)C)ccc1N.
What is the InChIKey of 2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine?
The InChIKey is DASONCKHJKYMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-17-12-10(13)6-7-11(15-12)14-9(2)8-16(3)4/h6-7,9H,5,8,13H2,1-4H3,(H,14,15).
What are the key properties of 2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine?
2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine is sourced from PubChem (CID 82945420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).