2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C19H29N — CID 59601190

IUPAC2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC(C)Cc1cccc(C2CCC3CCCCC3N2)c1
InChIInChI=1S/C19H29N/c1-14(2)12-15-6-5-8-17(13-15)19-11-10-16-7-3-4-9-18(16)20-19/h5-6,8,13-14,16,18-20H,3-4,7,9-12H2,1-2H3
InChIKeyVPRAHGKWEPHXLU-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.87
Rot. Bonds3

About 2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 59601190) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID59601190
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC(C)Cc1cccc(C2CCC3CCCCC3N2)c1
InChIInChI=1S/C19H29N/c1-14(2)12-15-6-5-8-17(13-15)19-11-10-16-7-3-4-9-18(16)20-19/h5-6,8,13-14,16,18-20H,3-4,7,9-12H2,1-2H3
InChIKeyVPRAHGKWEPHXLU-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 113390991
2-[3-(2-methylpropyl)phenyl]azepane
CID 116545597
1-cyclobutyl-3-(2-methylpropyl)benzene
CID 169137072
2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one
CID 112705489
N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine
CID 116545575
2-(4-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 116506722
N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine
CID 116546483
2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine
CID 116545566
2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 66469543
1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene
CID 116545883
cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
CID 116544893
1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene
CID 154060470

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of 2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 59601190) is 2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for 2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for 2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is CC(C)Cc1cccc(C2CCC3CCCCC3N2)c1.
What is the InChIKey of 2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is VPRAHGKWEPHXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-14(2)12-15-6-5-8-17(13-15)19-11-10-16-7-3-4-9-18(16)20-19/h5-6,8,13-14,16,18-20H,3-4,7,9-12H2,1-2H3.
What are the key properties of 2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 271.45 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 59601190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).