3-(2-methylhexan-2-yl)-3a,7a-dihydro-3H-indole

C15H23N — CID 123769378

IUPAC3-(2-methylhexan-2-yl)-3a,7a-dihydro-3H-indole
SMILESCCCCC(C)(C)C1C=NC2C=CC=CC21
InChIInChI=1S/C15H23N/c1-4-5-10-15(2,3)13-11-16-14-9-7-6-8-12(13)14/h6-9,11-14H,4-5,10H2,1-3H3
InChIKeyVYNYVAVOFZGXBB-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.01
Rot. Bonds4

About 3-(2-methylhexan-2-yl)-3a,7a-dihydro-3H-indole

3-(2-methylhexan-2-yl)-3a,7a-dihydro-3H-indole (PubChem CID 123769378) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-(2-methylhexan-2-yl)-3a,7a-dihydro-3H-indole.

Molecular Properties

Compound Name3-(2-methylhexan-2-yl)-3a,7a-dihydro-3H-indole
PubChem CID123769378
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-(2-methylhexan-2-yl)-3a,7a-dihydro-3H-indole
SMILESCCCCC(C)(C)C1C=NC2C=CC=CC21
InChIInChI=1S/C15H23N/c1-4-5-10-15(2,3)13-11-16-14-9-7-6-8-12(13)14/h6-9,11-14H,4-5,10H2,1-3H3
InChIKeyVYNYVAVOFZGXBB-UHFFFAOYSA-N
XLogP4.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole
CID 91299299
(1S,4S,5R)-4,7-ditert-butyl-2-azabicyclo[3.2.0]hepta-2,6-diene
CID 12014503
2,3,3-Trimethyl-3a,7a-dihydroindole
CID 17797756
4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine
CID 57078566
10,16-Dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
CID 57141995
2-methyl-3-propyl-3a,7a-dihydro-3H-indole
CID 59106252
2-tert-butyl-3-methyl-3a,7a-dihydro-3H-indole
CID 59346769
8-[(2R)-butan-2-yl]-3,4,4a,7,8,8a-hexahydroquinoline
CID 68340966
2-(3,3-Dimethylpentyl)-1-azacyclododeca-4,8,12-triene
CID 70585406
8-(2-Methylbutan-2-yl)-4a,8a-dihydroquinoline
CID 71069576
2-[(3E)-4,5-dimethylhexa-3,5-dien-2-yl]-5-ethyl-3,3,4,4-tetramethyl-2H-pyrrole
CID 88589153
1-(3a,7a-dihydro-3H-indol-3-yl)propan-2-amine
CID 89084552

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylhexan-2-yl)-3a,7a-dihydro-3H-indole?
The IUPAC name of 3-(2-methylhexan-2-yl)-3a,7a-dihydro-3H-indole (CID 123769378) is 3-(2-methylhexan-2-yl)-3a,7a-dihydro-3H-indole.
What is the SMILES notation for 3-(2-methylhexan-2-yl)-3a,7a-dihydro-3H-indole?
The canonical SMILES for 3-(2-methylhexan-2-yl)-3a,7a-dihydro-3H-indole is CCCCC(C)(C)C1C=NC2C=CC=CC21.
What is the InChIKey of 3-(2-methylhexan-2-yl)-3a,7a-dihydro-3H-indole?
The InChIKey is VYNYVAVOFZGXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-5-10-15(2,3)13-11-16-14-9-7-6-8-12(13)14/h6-9,11-14H,4-5,10H2,1-3H3.
What are the key properties of 3-(2-methylhexan-2-yl)-3a,7a-dihydro-3H-indole?
3-(2-methylhexan-2-yl)-3a,7a-dihydro-3H-indole has a molecular weight of 217.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylhexan-2-yl)-3a,7a-dihydro-3H-indole is sourced from PubChem (CID 123769378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).