3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride

C14H18ClN3 — CID 156692790

IUPAC3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride
SMILESCC(C)c1ccccc1-c1ccc(N)nc1N.Cl
InChIInChI=1S/C14H17N3.ClH/c1-9(2)10-5-3-4-6-11(10)12-7-8-13(15)17-14(12)16;/h3-9H,1-2H3,(H4,15,16,17);1H
InChIKeyLAVXYIRRPLMXPM-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.46
Rot. Bonds2

About 3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride

3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride (PubChem CID 156692790) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride.

Molecular Properties

Compound Name3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride
PubChem CID156692790
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride
SMILESCC(C)c1ccccc1-c1ccc(N)nc1N.Cl
InChIInChI=1S/C14H17N3.ClH/c1-9(2)10-5-3-4-6-11(10)12-7-8-13(15)17-14(12)16;/h3-9H,1-2H3,(H4,15,16,17);1H
InChIKeyLAVXYIRRPLMXPM-UHFFFAOYSA-N
XLogP3.46
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride?
The IUPAC name of 3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride (CID 156692790) is 3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride.
What is the SMILES notation for 3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride?
The canonical SMILES for 3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride is CC(C)c1ccccc1-c1ccc(N)nc1N.Cl.
What is the InChIKey of 3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride?
The InChIKey is LAVXYIRRPLMXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.ClH/c1-9(2)10-5-3-4-6-11(10)12-7-8-13(15)17-14(12)16;/h3-9H,1-2H3,(H4,15,16,17);1H.
What are the key properties of 3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride?
3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride is sourced from PubChem (CID 156692790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).