1,6-dimethyl-2,3,3a,4,7,7a-hexahydroindole

C10H17N — CID 135226698

IUPAC1,6-dimethyl-2,3,3a,4,7,7a-hexahydroindole
SMILESCC1=CCC2CCN(C)C2C1
InChIInChI=1S/C10H17N/c1-8-3-4-9-5-6-11(2)10(9)7-8/h3,9-10H,4-7H2,1-2H3
InChIKeyXFLAKNURDNVVNG-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.05
Rot. Bonds

About 1,6-dimethyl-2,3,3a,4,7,7a-hexahydroindole

1,6-dimethyl-2,3,3a,4,7,7a-hexahydroindole (PubChem CID 135226698) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1,6-dimethyl-2,3,3a,4,7,7a-hexahydroindole.

Molecular Properties

Compound Name1,6-dimethyl-2,3,3a,4,7,7a-hexahydroindole
PubChem CID135226698
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1,6-dimethyl-2,3,3a,4,7,7a-hexahydroindole
SMILESCC1=CCC2CCN(C)C2C1
InChIInChI=1S/C10H17N/c1-8-3-4-9-5-6-11(2)10(9)7-8/h3,9-10H,4-7H2,1-2H3
InChIKeyXFLAKNURDNVVNG-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,6-dimethyl-2,3,3a,4,7,7a-hexahydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl)oxy]-1,3,2λ5-dioxaphosphepane 2-oxide
CID 170747325
6-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-1-methyl-2,3,3a,4,7,7a-hexahydroindole
CID 170747388
(1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-ethyl-N-methylcarbamate
CID 170747083
1-methyl-7-phenyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline
CID 59969604
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
1,7-dimethyl-2,3,4,4a,5,7a-hexahydrocyclopenta[b]pyridine
CID 89385946
1,2-dimethoxybenzene;methane;(1-methyl-2,3,3a,4,7,7a-hexahydroindol-6-yl) N-methyl-N-phenylcarbamate
CID 170747362
(2S,7R,8S)-4-methyltricyclo[6.2.1.02,7]undec-4-ene
CID 90896353
(3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 148741142
4,5-dibromo-1-methylcyclohexene
CID 10422412
4-iodo-1-methylcyclopentene
CID 144823254
bis(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole);dihydrochloride
CID 154734095

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2,3,3a,4,7,7a-hexahydroindole?
The IUPAC name of 1,6-dimethyl-2,3,3a,4,7,7a-hexahydroindole (CID 135226698) is 1,6-dimethyl-2,3,3a,4,7,7a-hexahydroindole.
What is the SMILES notation for 1,6-dimethyl-2,3,3a,4,7,7a-hexahydroindole?
The canonical SMILES for 1,6-dimethyl-2,3,3a,4,7,7a-hexahydroindole is CC1=CCC2CCN(C)C2C1.
What is the InChIKey of 1,6-dimethyl-2,3,3a,4,7,7a-hexahydroindole?
The InChIKey is XFLAKNURDNVVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-3-4-9-5-6-11(2)10(9)7-8/h3,9-10H,4-7H2,1-2H3.
What are the key properties of 1,6-dimethyl-2,3,3a,4,7,7a-hexahydroindole?
1,6-dimethyl-2,3,3a,4,7,7a-hexahydroindole has a molecular weight of 151.25 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2,3,3a,4,7,7a-hexahydroindole is sourced from PubChem (CID 135226698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).