2,6-bis(2,2-dimethylpropyl)-1,2-dihydroquinoline

C19H29N — CID 126708133

IUPAC2,6-bis(2,2-dimethylpropyl)-1,2-dihydroquinoline
SMILESCC(C)(C)Cc1ccc2c(c1)C=CC(CC(C)(C)C)N2
InChIInChI=1S/C19H29N/c1-18(2,3)12-14-7-10-17-15(11-14)8-9-16(20-17)13-19(4,5)6/h7-11,16,20H,12-13H2,1-6H3
InChIKeyYMSMACICXQGOAF-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.52
Rot. Bonds2

About 2,6-bis(2,2-dimethylpropyl)-1,2-dihydroquinoline

2,6-bis(2,2-dimethylpropyl)-1,2-dihydroquinoline (PubChem CID 126708133) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 2,6-bis(2,2-dimethylpropyl)-1,2-dihydroquinoline.

Molecular Properties

Compound Name2,6-bis(2,2-dimethylpropyl)-1,2-dihydroquinoline
PubChem CID126708133
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name2,6-bis(2,2-dimethylpropyl)-1,2-dihydroquinoline
SMILESCC(C)(C)Cc1ccc2c(c1)C=CC(CC(C)(C)C)N2
InChIInChI=1S/C19H29N/c1-18(2,3)12-14-7-10-17-15(11-14)8-9-16(20-17)13-19(4,5)6/h7-11,16,20H,12-13H2,1-6H3
InChIKeyYMSMACICXQGOAF-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-bis(2,2-dimethylpropyl)-1,2-dihydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-bis(2,2-dimethylpropyl)-2,3-dihydro-1H-indole
CID 126708128
2,7-bis(2,2-dimethylpropyl)naphthalene
CID 147176407
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
6-(2,2-dimethylpropyl)-1,3-benzoxazole
CID 59139810
1,2-dihydroquinolin-2-ylmethyl(trimethyl)silane
CID 11115651
[4-(2,2-dimethylpropyl)-2-methylphenyl]methanol
CID 118313545
6-(2,2-dimethylpropyl)-3-methyl-1,2-dihydrobenzotriazole
CID 118135321
1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene
CID 140907989
2-bromo-1-tert-butyl-4-(2,2-dimethylpropyl)benzene
CID 59376441
4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine
CID 117408603
2-tert-butyl-5-(2,2-dimethylpropyl)aniline
CID 142239267
2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine
CID 117371991

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,2-dimethylpropyl)-1,2-dihydroquinoline?
The IUPAC name of 2,6-bis(2,2-dimethylpropyl)-1,2-dihydroquinoline (CID 126708133) is 2,6-bis(2,2-dimethylpropyl)-1,2-dihydroquinoline.
What is the SMILES notation for 2,6-bis(2,2-dimethylpropyl)-1,2-dihydroquinoline?
The canonical SMILES for 2,6-bis(2,2-dimethylpropyl)-1,2-dihydroquinoline is CC(C)(C)Cc1ccc2c(c1)C=CC(CC(C)(C)C)N2.
What is the InChIKey of 2,6-bis(2,2-dimethylpropyl)-1,2-dihydroquinoline?
The InChIKey is YMSMACICXQGOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-18(2,3)12-14-7-10-17-15(11-14)8-9-16(20-17)13-19(4,5)6/h7-11,16,20H,12-13H2,1-6H3.
What are the key properties of 2,6-bis(2,2-dimethylpropyl)-1,2-dihydroquinoline?
2,6-bis(2,2-dimethylpropyl)-1,2-dihydroquinoline has a molecular weight of 271.45 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2,2-dimethylpropyl)-1,2-dihydroquinoline is sourced from PubChem (CID 126708133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).