2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine

C16H22N4 — CID 28903560

IUPAC2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine
SMILESCN(CCCNc1ncccc1N)Cc1ccccc1
InChIInChI=1S/C16H22N4/c1-20(13-14-7-3-2-4-8-14)12-6-11-19-16-15(17)9-5-10-18-16/h2-5,7-10H,6,11-13,17H2,1H3,(H,18,19)
InChIKeyZMFICVAUOGZJSC-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.60
Rot. Bonds7

About 2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine

2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine (PubChem CID 28903560) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine
PubChem CID28903560
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine
SMILESCN(CCCNc1ncccc1N)Cc1ccccc1
InChIInChI=1S/C16H22N4/c1-20(13-14-7-3-2-4-8-14)12-6-11-19-16-15(17)9-5-10-18-16/h2-5,7-10H,6,11-13,17H2,1H3,(H,18,19)
InChIKeyZMFICVAUOGZJSC-UHFFFAOYSA-N
XLogP2.60
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine
CID 80771946
2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine
CID 116795430
2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine
CID 102767271
N'-benzyl-N-(2,5-dichloropyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 79639329
N'-benzyl-N-(5-iodopyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 115620645
N'-benzyl-N-(5-fluoropyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 115749884
2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine
CID 62376760
4-[3-[benzyl(methyl)amino]propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136973680
2-N-[2-(diethylamino)ethyl]pyridine-2,3-diamine
CID 28818395
N'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine
CID 55855511
8-[[benzyl(methyl)amino]methyl]quinolin-5-amine
CID 43375712
N'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine
CID 29068172

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine?
The IUPAC name of 2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine (CID 28903560) is 2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine is CN(CCCNc1ncccc1N)Cc1ccccc1.
What is the InChIKey of 2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine?
The InChIKey is ZMFICVAUOGZJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-20(13-14-7-3-2-4-8-14)12-6-11-19-16-15(17)9-5-10-18-16/h2-5,7-10H,6,11-13,17H2,1H3,(H,18,19).
What are the key properties of 2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine?
2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine is sourced from PubChem (CID 28903560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).