N'-methyl-N'-(5,6,7,8-tetrahydroquinolin-2-yl)ethane-1,2-diamine

C12H19N3 — CID 19980268

IUPACN'-methyl-N'-(5,6,7,8-tetrahydroquinolin-2-yl)ethane-1,2-diamine
SMILESCN(CCN)c1ccc2c(n1)CCCC2
InChIInChI=1S/C12H19N3/c1-15(9-8-13)12-7-6-10-4-2-3-5-11(10)14-12/h6-7H,2-5,8-9,13H2,1H3
InChIKeyLTXIZLALUBSQPO-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.36
Rot. Bonds3

About N'-methyl-N'-(5,6,7,8-tetrahydroquinolin-2-yl)ethane-1,2-diamine

N'-methyl-N'-(5,6,7,8-tetrahydroquinolin-2-yl)ethane-1,2-diamine (PubChem CID 19980268) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N'-methyl-N'-(5,6,7,8-tetrahydroquinolin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(5,6,7,8-tetrahydroquinolin-2-yl)ethane-1,2-diamine
PubChem CID19980268
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN'-methyl-N'-(5,6,7,8-tetrahydroquinolin-2-yl)ethane-1,2-diamine
SMILESCN(CCN)c1ccc2c(n1)CCCC2
InChIInChI=1S/C12H19N3/c1-15(9-8-13)12-7-6-10-4-2-3-5-11(10)14-12/h6-7H,2-5,8-9,13H2,1H3
InChIKeyLTXIZLALUBSQPO-UHFFFAOYSA-N
XLogP1.36
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(5,6,7,8-tetrahydroquinolin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(5,6,7,8-tetrahydroquinolin-2-yl)ethane-1,2-diamine (CID 19980268) is N'-methyl-N'-(5,6,7,8-tetrahydroquinolin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(5,6,7,8-tetrahydroquinolin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(5,6,7,8-tetrahydroquinolin-2-yl)ethane-1,2-diamine is CN(CCN)c1ccc2c(n1)CCCC2.
What is the InChIKey of N'-methyl-N'-(5,6,7,8-tetrahydroquinolin-2-yl)ethane-1,2-diamine?
The InChIKey is LTXIZLALUBSQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-15(9-8-13)12-7-6-10-4-2-3-5-11(10)14-12/h6-7H,2-5,8-9,13H2,1H3.
What are the key properties of N'-methyl-N'-(5,6,7,8-tetrahydroquinolin-2-yl)ethane-1,2-diamine?
N'-methyl-N'-(5,6,7,8-tetrahydroquinolin-2-yl)ethane-1,2-diamine has a molecular weight of 205.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(5,6,7,8-tetrahydroquinolin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 19980268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).