4-N-(2-methylpropyl)quinoline-3,4-diamine;hydrochloride

C13H18ClN3 — CID 24745205

IUPAC4-N-(2-methylpropyl)quinoline-3,4-diamine;hydrochloride
SMILESCC(C)CNc1c(N)cnc2ccccc12.Cl
InChIInChI=1S/C13H17N3.ClH/c1-9(2)7-16-13-10-5-3-4-6-12(10)15-8-11(13)14;/h3-6,8-9H,7,14H2,1-2H3,(H,15,16);1H
InChIKeyZRRAINCPRZTHMN-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.31
Rot. Bonds3

About 4-N-(2-methylpropyl)quinoline-3,4-diamine;hydrochloride

4-N-(2-methylpropyl)quinoline-3,4-diamine;hydrochloride (PubChem CID 24745205) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-N-(2-methylpropyl)quinoline-3,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-(2-methylpropyl)quinoline-3,4-diamine;hydrochloride
PubChem CID24745205
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name4-N-(2-methylpropyl)quinoline-3,4-diamine;hydrochloride
SMILESCC(C)CNc1c(N)cnc2ccccc12.Cl
InChIInChI=1S/C13H17N3.ClH/c1-9(2)7-16-13-10-5-3-4-6-12(10)15-8-11(13)14;/h3-6,8-9H,7,14H2,1-2H3,(H,15,16);1H
InChIKeyZRRAINCPRZTHMN-UHFFFAOYSA-N
XLogP3.31
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylpropyl)quinoline-3,4-diamine;hydrochloride?
The IUPAC name of 4-N-(2-methylpropyl)quinoline-3,4-diamine;hydrochloride (CID 24745205) is 4-N-(2-methylpropyl)quinoline-3,4-diamine;hydrochloride.
What is the SMILES notation for 4-N-(2-methylpropyl)quinoline-3,4-diamine;hydrochloride?
The canonical SMILES for 4-N-(2-methylpropyl)quinoline-3,4-diamine;hydrochloride is CC(C)CNc1c(N)cnc2ccccc12.Cl.
What is the InChIKey of 4-N-(2-methylpropyl)quinoline-3,4-diamine;hydrochloride?
The InChIKey is ZRRAINCPRZTHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.ClH/c1-9(2)7-16-13-10-5-3-4-6-12(10)15-8-11(13)14;/h3-6,8-9H,7,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 4-N-(2-methylpropyl)quinoline-3,4-diamine;hydrochloride?
4-N-(2-methylpropyl)quinoline-3,4-diamine;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylpropyl)quinoline-3,4-diamine;hydrochloride is sourced from PubChem (CID 24745205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).