N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine

C13H17N3 — CID 3132199

IUPACN'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine
SMILESCc1ccc2nc(C)cc(NCCN)c2c1
InChIInChI=1S/C13H17N3/c1-9-3-4-12-11(7-9)13(15-6-5-14)8-10(2)16-12/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyKUXHUYLLOZWHQU-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.22
Rot. Bonds3

About N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine

N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine (PubChem CID 3132199) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine
PubChem CID3132199
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine
SMILESCc1ccc2nc(C)cc(NCCN)c2c1
InChIInChI=1S/C13H17N3/c1-9-3-4-12-11(7-9)13(15-6-5-14)8-10(2)16-12/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyKUXHUYLLOZWHQU-UHFFFAOYSA-N
XLogP2.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,6-dimethylquinolin-4-amine
CID 62201642
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride
CID 126476329
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
2-[(6-chloro-2-methylquinolin-4-yl)amino]ethanol
CID 155175469
4-(2,6-dimethylquinolin-4-yl)butan-1-amine
CID 82577777
N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide
CID 46966805
N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 12666397
N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine
CID 71210633
6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine
CID 167985804
6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine
CID 63483498

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine (CID 3132199) is N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine is Cc1ccc2nc(C)cc(NCCN)c2c1.
What is the InChIKey of N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is KUXHUYLLOZWHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-3-4-12-11(7-9)13(15-6-5-14)8-10(2)16-12/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine?
N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 215.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 3132199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).