N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride

C12H17Cl2N3 — CID 46735889

IUPACN'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
SMILESCc1cc(NCCN)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C12H15N3.2ClH/c1-9-8-12(14-7-6-13)10-4-2-3-5-11(10)15-9;;/h2-5,8H,6-7,13H2,1H3,(H,14,15);2*1H
InChIKeyJNDRTNUFJKNFQV-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.76
Rot. Bonds3

About N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride

N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 46735889) has the molecular formula C12H17Cl2N3 and a molecular weight of 274.20 g/mol. Its IUPAC name is N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
PubChem CID46735889
Molecular FormulaC12H17Cl2N3
Molecular Weight274.20 g/mol
Exact Mass273.08
IUPAC NameN'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
SMILESCc1cc(NCCN)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C12H15N3.2ClH/c1-9-8-12(14-7-6-13)10-4-2-3-5-11(10)15-9;;/h2-5,8H,6-7,13H2,1H3,(H,14,15);2*1H
InChIKeyJNDRTNUFJKNFQV-UHFFFAOYSA-N
XLogP2.76
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine
CID 3132199
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
CID 43552334
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine
CID 63535075
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
CID 61238902
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine
CID 114759234
2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
N-(3-butoxypropyl)-2-methylquinolin-4-amine
CID 112810282

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride (CID 46735889) is N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride is Cc1cc(NCCN)c2ccccc2n1.Cl.Cl.
What is the InChIKey of N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is JNDRTNUFJKNFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.2ClH/c1-9-8-12(14-7-6-13)10-4-2-3-5-11(10)15-9;;/h2-5,8H,6-7,13H2,1H3,(H,14,15);2*1H.
What are the key properties of N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride?
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 274.20 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 46735889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).