6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine

C14H17N3 — CID 80647053

IUPAC6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine
SMILESCc1cccc(CCNc2cccc(N)n2)c1
InChIInChI=1S/C14H17N3/c1-11-4-2-5-12(10-11)8-9-16-14-7-3-6-13(15)17-14/h2-7,10H,8-9H2,1H3,(H3,15,16,17)
InChIKeyCAGQKMUDTSNXTH-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.63
Rot. Bonds4

About 6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine

6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine (PubChem CID 80647053) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine
PubChem CID80647053
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine
SMILESCc1cccc(CCNc2cccc(N)n2)c1
InChIInChI=1S/C14H17N3/c1-11-4-2-5-12(10-11)8-9-16-14-7-3-6-13(15)17-14/h2-7,10H,8-9H2,1H3,(H3,15,16,17)
InChIKeyCAGQKMUDTSNXTH-UHFFFAOYSA-N
XLogP2.63
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80958392
6-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 78989212
6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine
CID 80646577
5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
CID 62314086
6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine
CID 80826170
N-[2-(3-methylphenyl)ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 78989285
2-tert-butyl-6-chloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 80945638
4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390
6-N-[2-(methylamino)ethyl]pyridine-2,6-diamine
CID 10888283
5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826733
6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine
CID 115474071

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine (CID 80647053) is 6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine is Cc1cccc(CCNc2cccc(N)n2)c1.
What is the InChIKey of 6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine?
The InChIKey is CAGQKMUDTSNXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-4-2-5-12(10-11)8-9-16-14-7-3-6-13(15)17-14/h2-7,10H,8-9H2,1H3,(H3,15,16,17).
What are the key properties of 6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine?
6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 80647053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).