N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride

C15H22ClN3 — CID 126476329

IUPACN-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCc1ccc2nc(C)cc(NCCN(C)C)c2c1.Cl
InChIInChI=1S/C15H21N3.ClH/c1-11-5-6-14-13(9-11)15(10-12(2)17-14)16-7-8-18(3)4;/h5-6,9-10H,7-8H2,1-4H3,(H,16,17);1H
InChIKeyZJSJKKMSFIANHR-UHFFFAOYSA-N
MW279.82 g/mol
LogP3.25
Rot. Bonds4

About N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride

N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride (PubChem CID 126476329) has the molecular formula C15H22ClN3 and a molecular weight of 279.82 g/mol. Its IUPAC name is N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride
PubChem CID126476329
Molecular FormulaC15H22ClN3
Molecular Weight279.82 g/mol
Exact Mass279.15
IUPAC NameN-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCc1ccc2nc(C)cc(NCCN(C)C)c2c1.Cl
InChIInChI=1S/C15H21N3.ClH/c1-11-5-6-14-13(9-11)15(10-12(2)17-14)16-7-8-18(3)4;/h5-6,9-10H,7-8H2,1-4H3,(H,16,17);1H
InChIKeyZJSJKKMSFIANHR-UHFFFAOYSA-N
XLogP3.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.82
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine
CID 3132199
sodium;4-[2-(dimethylamino)ethylamino]-2-methylquinoline-6-carboxylic acid;hydroxide
CID 172712956
N-ethyl-2,6-dimethylquinolin-4-amine
CID 62201642
N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine
CID 11407724
N-benzyl-2,6-dimethylquinolin-4-amine
CID 719873
N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28585840
6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine
CID 63483498
N-(2-fluoro-5-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28877671
N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide
CID 46966805
N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine
CID 71210633
4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052116
2-[(6-chloro-2-methylquinolin-4-yl)amino]ethanol
CID 155175469

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride?
The IUPAC name of N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride (CID 126476329) is N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride is Cc1ccc2nc(C)cc(NCCN(C)C)c2c1.Cl.
What is the InChIKey of N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride?
The InChIKey is ZJSJKKMSFIANHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3.ClH/c1-11-5-6-14-13(9-11)15(10-12(2)17-14)16-7-8-18(3)4;/h5-6,9-10H,7-8H2,1-4H3,(H,16,17);1H.
What are the key properties of N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride?
N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride has a molecular weight of 279.82 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 126476329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).