2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine

C13H24N4 — CID 102991165

IUPAC2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine
SMILESCCN(CCCN(C)C)c1nc(C)ccc1N
InChIInChI=1S/C13H24N4/c1-5-17(10-6-9-16(3)4)13-12(14)8-7-11(2)15-13/h7-8H,5-6,9-10,14H2,1-4H3
InChIKeyIJVLWCOUHDARSL-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.75
Rot. Bonds6

About 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine

2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine (PubChem CID 102991165) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine
PubChem CID102991165
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine
SMILESCCN(CCCN(C)C)c1nc(C)ccc1N
InChIInChI=1S/C13H24N4/c1-5-17(10-6-9-16(3)4)13-12(14)8-7-11(2)15-13/h7-8H,5-6,9-10,14H2,1-4H3
InChIKeyIJVLWCOUHDARSL-UHFFFAOYSA-N
XLogP1.75
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine (CID 102991165) is 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine is CCN(CCCN(C)C)c1nc(C)ccc1N.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine?
The InChIKey is IJVLWCOUHDARSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-17(10-6-9-16(3)4)13-12(14)8-7-11(2)15-13/h7-8H,5-6,9-10,14H2,1-4H3.
What are the key properties of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine?
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine is sourced from PubChem (CID 102991165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).