N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine

C20H31N3O — CID 44568394

IUPACN',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine
SMILESCCCCN(CCCC)CCNc1cc(OC)cc2cccnc12
InChIInChI=1S/C20H31N3O/c1-4-6-12-23(13-7-5-2)14-11-21-19-16-18(24-3)15-17-9-8-10-22-20(17)19/h8-10,15-16,21H,4-7,11-14H2,1-3H3
InChIKeyOFOAJOZHNDBHKO-UHFFFAOYSA-N
MW329.49 g/mol
LogP4.56
Rot. Bonds11

About N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine

N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine (PubChem CID 44568394) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine
PubChem CID44568394
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine
SMILESCCCCN(CCCC)CCNc1cc(OC)cc2cccnc12
InChIInChI=1S/C20H31N3O/c1-4-6-12-23(13-7-5-2)14-11-21-19-16-18(24-3)15-17-9-8-10-22-20(17)19/h8-10,15-16,21H,4-7,11-14H2,1-3H3
InChIKeyOFOAJOZHNDBHKO-UHFFFAOYSA-N
XLogP4.56
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-(2-methylpropyl)ethane-1,2-diamine;hydrochloride
CID 54605470
N'-butan-2-yl-N'-ethyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine;dihydrochloride
CID 131882377
N'-ethyl-N-(6-methoxyquinolin-8-yl)-N'-phenylethane-1,2-diamine;hydrochloride
CID 54603031
2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
CID 504257
N-heptan-2-yl-6-methoxyquinolin-8-amine
CID 70828579
2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine
CID 5160911
1-[(6-methoxyquinolin-8-yl)amino]-2-methyl-3-[methyl(propyl)amino]propan-2-ol;hydrochloride
CID 53422254
6-methoxy-N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 11708748
1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea
CID 21115016
dihydroxy(oxo)azanium;2-[3-[(6-methoxyquinolin-8-yl)amino]propyl]guanidine
CID 6331885
dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
CID 6332174
6-chloro-N-pentylquinolin-8-amine
CID 43672340

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine (CID 44568394) is N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine is CCCCN(CCCC)CCNc1cc(OC)cc2cccnc12.
What is the InChIKey of N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine?
The InChIKey is OFOAJOZHNDBHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-4-6-12-23(13-7-5-2)14-11-21-19-16-18(24-3)15-17-9-8-10-22-20(17)19/h8-10,15-16,21H,4-7,11-14H2,1-3H3.
What are the key properties of N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine?
N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine has a molecular weight of 329.49 g/mol, XLogP of 4.56, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-(6-methoxyquinolin-8-yl)ethane-1,2-diamine is sourced from PubChem (CID 44568394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).