1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indole

C18H25NO — CID 175920984

IUPAC1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indole
SMILESCC(C)(C)Cn1ccc2ccc(C3CCOCC3)cc21
InChIInChI=1S/C18H25NO/c1-18(2,3)13-19-9-6-15-4-5-16(12-17(15)19)14-7-10-20-11-8-14/h4-6,9,12,14H,7-8,10-11,13H2,1-3H3
InChIKeyFEKMGRBEFZILMR-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.58
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indole

1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indole (PubChem CID 175920984) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indole.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indole
PubChem CID175920984
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indole
SMILESCC(C)(C)Cn1ccc2ccc(C3CCOCC3)cc21
InChIInChI=1S/C18H25NO/c1-18(2,3)13-19-9-6-15-4-5-16(12-17(15)19)14-7-10-20-11-8-14/h4-6,9,12,14H,7-8,10-11,13H2,1-3H3
InChIKeyFEKMGRBEFZILMR-UHFFFAOYSA-N
XLogP4.58
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropanethiol;1-[1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indol-3-yl]ethanamine
CID 168956921
6-cyclobutyl-1-(2-methylpropyl)indole
CID 166912133
6-cyclopropyl-1-methylindole
CID 121280278
6-methoxy-1-(oxan-4-ylmethyl)indole
CID 171704295
4-[1-[2-(diethylamino)ethyl]indol-6-yl]-2-sulfanyloxan-2-ol
CID 139928525
1-(2,2-dimethylpropyl)-5-methylindole
CID 90966063
5-bromo-6-fluoro-1-(oxan-4-ylmethyl)indole
CID 171037206
5-bromo-1-(oxan-4-ylmethyl)indole
CID 116619540
6-(1-methylpiperidin-4-yl)-1-propan-2-ylindole
CID 22732015
4-(4-methylphenyl)oxane
CID 46222621
2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol
CID 117341023
2-methylsulfanyl-4-(oxan-4-yl)aniline
CID 134507908

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indole?
The IUPAC name of 1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indole (CID 175920984) is 1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indole.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indole?
The canonical SMILES for 1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indole is CC(C)(C)Cn1ccc2ccc(C3CCOCC3)cc21.
What is the InChIKey of 1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indole?
The InChIKey is FEKMGRBEFZILMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-18(2,3)13-19-9-6-15-4-5-16(12-17(15)19)14-7-10-20-11-8-14/h4-6,9,12,14H,7-8,10-11,13H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indole?
1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indole has a molecular weight of 271.40 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indole is sourced from PubChem (CID 175920984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).