2-(2,4-dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline

C21H37N — CID 123283756

IUPAC2-(2,4-dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline
SMILESCCCCC(C)CC(C)CC1N=C2C=CC(C)CC2CC1C
InChIInChI=1S/C21H37N/c1-6-7-8-15(2)11-17(4)13-21-18(5)14-19-12-16(3)9-10-20(19)22-21/h9-10,15-19,21H,6-8,11-14H2,1-5H3
InChIKeyVTWQQOIWHXXWGJ-UHFFFAOYSA-N
MW303.53 g/mol
LogP6.29
Rot. Bonds7

About 2-(2,4-dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline

2-(2,4-dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline (PubChem CID 123283756) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is 2-(2,4-dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline.

Molecular Properties

Compound Name2-(2,4-dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline
PubChem CID123283756
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC Name2-(2,4-dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline
SMILESCCCCC(C)CC(C)CC1N=C2C=CC(C)CC2CC1C
InChIInChI=1S/C21H37N/c1-6-7-8-15(2)11-17(4)13-21-18(5)14-19-12-16(3)9-10-20(19)22-21/h9-10,15-19,21H,6-8,11-14H2,1-5H3
InChIKeyVTWQQOIWHXXWGJ-UHFFFAOYSA-N
XLogP6.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2,4-dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline with MolForge

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Related Compounds

Lanopylin A1
CID 9883534
5-Methyl-4-(15-methylhexadecylidene)-3,4-dihydro-2H-pyrrole
CID 71374075
Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
CID 20732637
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
(2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine
CID 118018671
(E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine
CID 170616648
3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline
CID 123552988
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
(4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline
CID 135042631
N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine
CID 135050320

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline?
The IUPAC name of 2-(2,4-dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline (CID 123283756) is 2-(2,4-dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline.
What is the SMILES notation for 2-(2,4-dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline?
The canonical SMILES for 2-(2,4-dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline is CCCCC(C)CC(C)CC1N=C2C=CC(C)CC2CC1C.
What is the InChIKey of 2-(2,4-dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline?
The InChIKey is VTWQQOIWHXXWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N/c1-6-7-8-15(2)11-17(4)13-21-18(5)14-19-12-16(3)9-10-20(19)22-21/h9-10,15-19,21H,6-8,11-14H2,1-5H3.
What are the key properties of 2-(2,4-dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline?
2-(2,4-dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline has a molecular weight of 303.53 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyloctyl)-3,6-dimethyl-2,3,4,4a,5,6-hexahydroquinoline is sourced from PubChem (CID 123283756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).