3-(1-adamantyl)-5-methyl-2,3-dihydro-1H-indole

C19H25N — CID 106985855

IUPAC3-(1-adamantyl)-5-methyl-2,3-dihydro-1H-indole
SMILESCc1ccc2c(c1)C(C13CC4CC(CC(C4)C1)C3)CN2
InChIInChI=1S/C19H25N/c1-12-2-3-18-16(4-12)17(11-20-18)19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15,17,20H,5-11H2,1H3
InChIKeyRRXUFAVYTVZNTA-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.72
Rot. Bonds1

About 3-(1-adamantyl)-5-methyl-2,3-dihydro-1H-indole

3-(1-adamantyl)-5-methyl-2,3-dihydro-1H-indole (PubChem CID 106985855) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(1-adamantyl)-5-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(1-adamantyl)-5-methyl-2,3-dihydro-1H-indole
PubChem CID106985855
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name3-(1-adamantyl)-5-methyl-2,3-dihydro-1H-indole
SMILESCc1ccc2c(c1)C(C13CC4CC(CC(C4)C1)C3)CN2
InChIInChI=1S/C19H25N/c1-12-2-3-18-16(4-12)17(11-20-18)19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15,17,20H,5-11H2,1H3
InChIKeyRRXUFAVYTVZNTA-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985853
3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
CID 106985758
5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106820143
1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone
CID 117201827
N-methyl-1-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-2-amine
CID 117201839
3-butyl-5-methyl-2,3-dihydro-1H-indole
CID 106820126
5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole
CID 106820145
2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860329
2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84618469
4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline
CID 130774875
4-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 84717052
3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole
CID 106820137

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-5-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 3-(1-adamantyl)-5-methyl-2,3-dihydro-1H-indole (CID 106985855) is 3-(1-adamantyl)-5-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(1-adamantyl)-5-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(1-adamantyl)-5-methyl-2,3-dihydro-1H-indole is Cc1ccc2c(c1)C(C13CC4CC(CC(C4)C1)C3)CN2.
What is the InChIKey of 3-(1-adamantyl)-5-methyl-2,3-dihydro-1H-indole?
The InChIKey is RRXUFAVYTVZNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-12-2-3-18-16(4-12)17(11-20-18)19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15,17,20H,5-11H2,1H3.
What are the key properties of 3-(1-adamantyl)-5-methyl-2,3-dihydro-1H-indole?
3-(1-adamantyl)-5-methyl-2,3-dihydro-1H-indole has a molecular weight of 267.42 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-5-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 106985855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).