3,3-dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole

C17H27N — CID 123267246

IUPAC3,3-dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole
SMILESCCCC(C)C(C)C1=NC2=CCCC=C2C1(C)C
InChIInChI=1S/C17H27N/c1-6-9-12(2)13(3)16-17(4,5)14-10-7-8-11-15(14)18-16/h10-13H,6-9H2,1-5H3
InChIKeyKZPFIBKBRCMYSL-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.14
Rot. Bonds4

About 3,3-dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole

3,3-dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole (PubChem CID 123267246) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3,3-dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole.

Molecular Properties

Compound Name3,3-dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole
PubChem CID123267246
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3,3-dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole
SMILESCCCC(C)C(C)C1=NC2=CCCC=C2C1(C)C
InChIInChI=1S/C17H27N/c1-6-9-12(2)13(3)16-17(4,5)14-10-7-8-11-15(14)18-16/h10-13H,6-9H2,1-5H3
InChIKeyKZPFIBKBRCMYSL-UHFFFAOYSA-N
XLogP5.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70432920
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CID 89431640
4-ethyl-N-[(Z)-1-(4-ethylcyclohexa-1,3-dien-1-yl)prop-1-enyl]-3-methylheptan-2-imine
CID 118198532
1,1,2,3-tetramethyl-6,10a-dihydro-5aH-cyclohepta[e]indol-3-ium
CID 123169985
4,5,6-triethyl-2-[(1E)-hexa-1,4-dienyl]-3,3-dimethyl-5,6-dihydroindole
CID 123514591
1,1-Dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole
CID 123745720
2,3,3,4-Tetramethyl-4,5-dihydroindole
CID 123861407
3,7a-Dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole
CID 126658051
(E)-5-cyclopenta-1,3-dien-1-yl-N-[(2Z,7Z)-5-ethenyl-4,6-dimethylnona-2,7-dien-3-yl]hept-5-en-2-imine
CID 126661368
3-Methyl-7-methylidene-2-(2-methyl-1-prop-1-en-2-yl-4-propylcyclohexa-2,4-dien-1-yl)-3,4,5,6-tetrahydroazepine
CID 130217036
(4Z,5E)-2-ethyl-3,3-dimethyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-5-prop-2-enylidenepyrrole
CID 130220120
2-[5,6-dimethyl-9-[1-(6-methylcyclohexa-1,5-dien-1-yl)butan-2-yl]-4a,5-dihydrobenzo[7]annulen-6-yl]-5,6-dihydro-3H-indole
CID 134388296

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole?
The IUPAC name of 3,3-dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole (CID 123267246) is 3,3-dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole.
What is the SMILES notation for 3,3-dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole?
The canonical SMILES for 3,3-dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole is CCCC(C)C(C)C1=NC2=CCCC=C2C1(C)C.
What is the InChIKey of 3,3-dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole?
The InChIKey is KZPFIBKBRCMYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-6-9-12(2)13(3)16-17(4,5)14-10-7-8-11-15(14)18-16/h10-13H,6-9H2,1-5H3.
What are the key properties of 3,3-dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole?
3,3-dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole has a molecular weight of 245.41 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole is sourced from PubChem (CID 123267246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).