5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole

C18H24N2 — CID 153307041

IUPAC5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole
SMILESCn1ccc2cc(N3CC4C(C3)C4C(C)(C)C)ccc21
InChIInChI=1S/C18H24N2/c1-18(2,3)17-14-10-20(11-15(14)17)13-5-6-16-12(9-13)7-8-19(16)4/h5-9,14-15,17H,10-11H2,1-4H3
InChIKeyLITLTIYEDFGFHI-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.91
Rot. Bonds1

About 5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole

5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole (PubChem CID 153307041) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole.

Molecular Properties

Compound Name5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole
PubChem CID153307041
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole
SMILESCn1ccc2cc(N3CC4C(C3)C4C(C)(C)C)ccc21
InChIInChI=1S/C18H24N2/c1-18(2,3)17-14-10-20(11-15(14)17)13-5-6-16-12(9-13)7-8-19(16)4/h5-9,14-15,17H,10-11H2,1-4H3
InChIKeyLITLTIYEDFGFHI-UHFFFAOYSA-N
XLogP3.91
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole 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

3-(1-benzothiophen-5-yl)-6-tert-butyl-3-azabicyclo[3.1.0]hexane
CID 157294410
6-tert-butyl-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 142421850
3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline
CID 142421658
1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole
CID 143783352
2-methyl-2-(1-methylindol-5-yl)propan-1-ol
CID 117291936
4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one
CID 168688428
4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one
CID 168660089
1-(1-methylindol-5-yl)pyrrolidine-2-carboxylic acid
CID 82537997
5-methoxy-1-methylindole
CID 819864
5-iodo-1-methylindole
CID 11322835
1,7-dimethylpyrrolo[3,2-f]indole
CID 170295030
CID 171784973
CID 171784973

Frequently Asked Questions

What is the IUPAC name of 5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole?
The IUPAC name of 5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole (CID 153307041) is 5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole.
What is the SMILES notation for 5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole?
The canonical SMILES for 5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole is Cn1ccc2cc(N3CC4C(C3)C4C(C)(C)C)ccc21.
What is the InChIKey of 5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole?
The InChIKey is LITLTIYEDFGFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-18(2,3)17-14-10-20(11-15(14)17)13-5-6-16-12(9-13)7-8-19(16)4/h5-9,14-15,17H,10-11H2,1-4H3.
What are the key properties of 5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole?
5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole has a molecular weight of 268.40 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole is sourced from PubChem (CID 153307041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).