1-(2,6-diethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine

C26H34N2 — CID 58994667

IUPAC1-(2,6-diethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine
SMILESCCCN(CCC)c1c(C)nc(-c2c(CC)cccc2CC)c2ccccc12
InChIInChI=1S/C26H34N2/c1-6-17-28(18-7-2)26-19(5)27-25(22-15-10-11-16-23(22)26)24-20(8-3)13-12-14-21(24)9-4/h10-16H,6-9,17-18H2,1-5H3
InChIKeyCPJIZBYZEANQGF-UHFFFAOYSA-N
MW374.57 g/mol
LogP6.96
Rot. Bonds8

About 1-(2,6-diethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine

1-(2,6-diethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine (PubChem CID 58994667) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine
PubChem CID58994667
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Name1-(2,6-diethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine
SMILESCCCN(CCC)c1c(C)nc(-c2c(CC)cccc2CC)c2ccccc12
InChIInChI=1S/C26H34N2/c1-6-17-28(18-7-2)26-19(5)27-25(22-15-10-11-16-23(22)26)24-20(8-3)13-12-14-21(24)9-4/h10-16H,6-9,17-18H2,1-5H3
InChIKeyCPJIZBYZEANQGF-UHFFFAOYSA-N
XLogP6.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1'-Diethyl-2,2'-cyanine iodide
CID 5484462
Pinacyanol chloride
CID 6364575
N,N-Dimethyl-N'-(2-naphthalen-2-YL-quinolin-4-YL)-ethane-1, 2-diamine
CID 454715
Carbocyanine
CID 5463350
1,2-Ethanediamine, N,N-dimethyl-N'-(2-phenyl-4-quinolinyl)-
CID 453048
1-ethyl-2-[3-(1-ethylquinolin-2(1H)-ylidene)prop-1-en-1-yl]quinolinium
CID 1551050
Pseudoisocyanine chloride
CID 5717105
Benzenamine, N,N-dimethyl-4-[2-(2-quinolinyl)ethenyl]-
CID 5721990
Centhaquine
CID 162163
8-Methyl-2-(2-methylphenyl)quinoline
CID 616095
4-(4-Methylpiperazino)-2-phenylquinoline
CID 453050
1,1'-Diethyl-2,2'-dicarbocyanine iodide
CID 5702691

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine?
The IUPAC name of 1-(2,6-diethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine (CID 58994667) is 1-(2,6-diethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine is CCCN(CCC)c1c(C)nc(-c2c(CC)cccc2CC)c2ccccc12.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine?
The InChIKey is CPJIZBYZEANQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2/c1-6-17-28(18-7-2)26-19(5)27-25(22-15-10-11-16-23(22)26)24-20(8-3)13-12-14-21(24)9-4/h10-16H,6-9,17-18H2,1-5H3.
What are the key properties of 1-(2,6-diethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine?
1-(2,6-diethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine has a molecular weight of 374.57 g/mol, XLogP of 6.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine is sourced from PubChem (CID 58994667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).