6-but-2-enyl-2-methyl-2-propyl-3,4-dihydro-1H-quinoline

C17H25N — CID 90908001

IUPAC6-but-2-enyl-2-methyl-2-propyl-3,4-dihydro-1H-quinoline
SMILESCC=CCc1ccc2c(c1)CCC(C)(CCC)N2
InChIInChI=1S/C17H25N/c1-4-6-7-14-8-9-16-15(13-14)10-12-17(3,18-16)11-5-2/h4,6,8-9,13,18H,5,7,10-12H2,1-3H3
InChIKeySRKYDEPHYQYMOX-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.72
Rot. Bonds4

About 6-but-2-enyl-2-methyl-2-propyl-3,4-dihydro-1H-quinoline

6-but-2-enyl-2-methyl-2-propyl-3,4-dihydro-1H-quinoline (PubChem CID 90908001) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 6-but-2-enyl-2-methyl-2-propyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name6-but-2-enyl-2-methyl-2-propyl-3,4-dihydro-1H-quinoline
PubChem CID90908001
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name6-but-2-enyl-2-methyl-2-propyl-3,4-dihydro-1H-quinoline
SMILESCC=CCc1ccc2c(c1)CCC(C)(CCC)N2
InChIInChI=1S/C17H25N/c1-4-6-7-14-8-9-16-15(13-14)10-12-17(3,18-16)11-5-2/h4,6,8-9,13,18H,5,7,10-12H2,1-3H3
InChIKeySRKYDEPHYQYMOX-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-quinoline
CID 53440434
6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline
CID 84723056
(2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol
CID 15720423
7-[(Z)-but-2-enyl]-1,4-dihydroquinoline
CID 163954750
2-(methoxymethyl)-2,6-dimethyl-3,4-dihydro-1H-quinoline
CID 117193656
3,8-di(nonyl)-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 170778877
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
(2-methyl-3,4-dihydro-1H-quinolin-2-yl)methanol
CID 19963231
5-butyl-1,3-dihydroindol-2-one
CID 10219749
7-(2-chloroethyl)-3-ethyl-3-methyl-1,2,4,5-tetrahydro-1-benzazepine
CID 90745273
6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline
CID 18620064
6-(2-aminopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82190762

Frequently Asked Questions

What is the IUPAC name of 6-but-2-enyl-2-methyl-2-propyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 6-but-2-enyl-2-methyl-2-propyl-3,4-dihydro-1H-quinoline (CID 90908001) is 6-but-2-enyl-2-methyl-2-propyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 6-but-2-enyl-2-methyl-2-propyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 6-but-2-enyl-2-methyl-2-propyl-3,4-dihydro-1H-quinoline is CC=CCc1ccc2c(c1)CCC(C)(CCC)N2.
What is the InChIKey of 6-but-2-enyl-2-methyl-2-propyl-3,4-dihydro-1H-quinoline?
The InChIKey is SRKYDEPHYQYMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-4-6-7-14-8-9-16-15(13-14)10-12-17(3,18-16)11-5-2/h4,6,8-9,13,18H,5,7,10-12H2,1-3H3.
What are the key properties of 6-but-2-enyl-2-methyl-2-propyl-3,4-dihydro-1H-quinoline?
6-but-2-enyl-2-methyl-2-propyl-3,4-dihydro-1H-quinoline has a molecular weight of 243.39 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-2-enyl-2-methyl-2-propyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 90908001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).