1,4,4-trimethyl-3-(2-methylbutyl)-2,3-dihydroquinoline

C17H27N — CID 137429120

IUPAC1,4,4-trimethyl-3-(2-methylbutyl)-2,3-dihydroquinoline
SMILESCCC(C)CC1CN(C)c2ccccc2C1(C)C
InChIInChI=1S/C17H27N/c1-6-13(2)11-14-12-18(5)16-10-8-7-9-15(16)17(14,3)4/h7-10,13-14H,6,11-12H2,1-5H3
InChIKeyVDKRQDIIAHQQCA-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.47
Rot. Bonds3

About 1,4,4-trimethyl-3-(2-methylbutyl)-2,3-dihydroquinoline

1,4,4-trimethyl-3-(2-methylbutyl)-2,3-dihydroquinoline (PubChem CID 137429120) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1,4,4-trimethyl-3-(2-methylbutyl)-2,3-dihydroquinoline.

Molecular Properties

Compound Name1,4,4-trimethyl-3-(2-methylbutyl)-2,3-dihydroquinoline
PubChem CID137429120
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1,4,4-trimethyl-3-(2-methylbutyl)-2,3-dihydroquinoline
SMILESCCC(C)CC1CN(C)c2ccccc2C1(C)C
InChIInChI=1S/C17H27N/c1-6-13(2)11-14-12-18(5)16-10-8-7-9-15(16)17(14,3)4/h7-10,13-14H,6,11-12H2,1-5H3
InChIKeyVDKRQDIIAHQQCA-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4,4-trimethyl-3-methylidene-2H-quinoline
CID 142604520
(3S)-3,4,4-trimethyl-1-(2-methylphenyl)-2,3-dihydroquinoline
CID 155394598
2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile
CID 67262655
ethane;1,3,4,4-tetramethyl-2H-quinazoline
CID 91014765
1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide
CID 173075648
1,3-bis(1-butyl-3,3-dimethyl-2H-indol-2-yl)propan-2-one
CID 59773729
5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
CID 64849218
ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole
CID 177010741
4-ethyl-3,5,5-trimethyl-3a,4-dihydroimidazo[1,2-a]quinoline
CID 144782316
[4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol
CID 117025849
(3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline
CID 140914028
3-cyclopropyl-3-methyl-1-(2-methylpentyl)-4,5-dihydro-2H-1,4-benzodiazepine
CID 79909104

Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-3-(2-methylbutyl)-2,3-dihydroquinoline?
The IUPAC name of 1,4,4-trimethyl-3-(2-methylbutyl)-2,3-dihydroquinoline (CID 137429120) is 1,4,4-trimethyl-3-(2-methylbutyl)-2,3-dihydroquinoline.
What is the SMILES notation for 1,4,4-trimethyl-3-(2-methylbutyl)-2,3-dihydroquinoline?
The canonical SMILES for 1,4,4-trimethyl-3-(2-methylbutyl)-2,3-dihydroquinoline is CCC(C)CC1CN(C)c2ccccc2C1(C)C.
What is the InChIKey of 1,4,4-trimethyl-3-(2-methylbutyl)-2,3-dihydroquinoline?
The InChIKey is VDKRQDIIAHQQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-6-13(2)11-14-12-18(5)16-10-8-7-9-15(16)17(14,3)4/h7-10,13-14H,6,11-12H2,1-5H3.
What are the key properties of 1,4,4-trimethyl-3-(2-methylbutyl)-2,3-dihydroquinoline?
1,4,4-trimethyl-3-(2-methylbutyl)-2,3-dihydroquinoline has a molecular weight of 245.41 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-3-(2-methylbutyl)-2,3-dihydroquinoline is sourced from PubChem (CID 137429120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).