4-N-[3-(dimethylamino)propyl]-4-N-phenylpyridine-3,4-diamine

C16H22N4 — CID 57184611

IUPAC4-N-[3-(dimethylamino)propyl]-4-N-phenylpyridine-3,4-diamine
SMILESCN(C)CCCN(c1ccccc1)c1ccncc1N
InChIInChI=1S/C16H22N4/c1-19(2)11-6-12-20(14-7-4-3-5-8-14)16-9-10-18-13-15(16)17/h3-5,7-10,13H,6,11-12,17H2,1-2H3
InChIKeyPLCAOMMAMHSFML-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.75
Rot. Bonds6

About 4-N-[3-(dimethylamino)propyl]-4-N-phenylpyridine-3,4-diamine

4-N-[3-(dimethylamino)propyl]-4-N-phenylpyridine-3,4-diamine (PubChem CID 57184611) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-4-N-phenylpyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-4-N-phenylpyridine-3,4-diamine
PubChem CID57184611
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-[3-(dimethylamino)propyl]-4-N-phenylpyridine-3,4-diamine
SMILESCN(C)CCCN(c1ccccc1)c1ccncc1N
InChIInChI=1S/C16H22N4/c1-19(2)11-6-12-20(14-7-4-3-5-8-14)16-9-10-18-13-15(16)17/h3-5,7-10,13H,6,11-12,17H2,1-2H3
InChIKeyPLCAOMMAMHSFML-UHFFFAOYSA-N
XLogP2.75
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N-phenylpyridine-3,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N-phenylpyridine-3,4-diamine (CID 57184611) is 4-N-[3-(dimethylamino)propyl]-4-N-phenylpyridine-3,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-4-N-phenylpyridine-3,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-4-N-phenylpyridine-3,4-diamine is CN(C)CCCN(c1ccccc1)c1ccncc1N.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-4-N-phenylpyridine-3,4-diamine?
The InChIKey is PLCAOMMAMHSFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19(2)11-6-12-20(14-7-4-3-5-8-14)16-9-10-18-13-15(16)17/h3-5,7-10,13H,6,11-12,17H2,1-2H3.
What are the key properties of 4-N-[3-(dimethylamino)propyl]-4-N-phenylpyridine-3,4-diamine?
4-N-[3-(dimethylamino)propyl]-4-N-phenylpyridine-3,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-4-N-phenylpyridine-3,4-diamine is sourced from PubChem (CID 57184611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).