2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine

C13H24N4O — CID 63694450

IUPAC2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(N(C)CCN(C)C)ccc1N
InChIInChI=1S/C13H24N4O/c1-5-10-18-13-11(14)6-7-12(15-13)17(4)9-8-16(2)3/h6-7H,5,8-10,14H2,1-4H3
InChIKeyINPPUZOUPKSOQR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.45
Rot. Bonds7

About 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine

2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine (PubChem CID 63694450) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine
PubChem CID63694450
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(N(C)CCN(C)C)ccc1N
InChIInChI=1S/C13H24N4O/c1-5-10-18-13-11(14)6-7-12(15-13)17(4)9-8-16(2)3/h6-7H,5,8-10,14H2,1-4H3
InChIKeyINPPUZOUPKSOQR-UHFFFAOYSA-N
XLogP1.45
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine (CID 63694450) is 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine is CCCOc1nc(N(C)CCN(C)C)ccc1N.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine?
The InChIKey is INPPUZOUPKSOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-10-18-13-11(14)6-7-12(15-13)17(4)9-8-16(2)3/h6-7H,5,8-10,14H2,1-4H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine?
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 63694450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).