2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine

C17H28N2 — CID 114539933

IUPAC2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1C1CCC(C)C1)CC(C)(C)CC2N
InChIInChI=1S/C17H28N2/c1-11-5-6-13(7-11)19-12(2)8-14-15(18)9-17(3,4)10-16(14)19/h8,11,13,15H,5-7,9-10,18H2,1-4H3
InChIKeyUKQMTKNINAEGKR-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.13
Rot. Bonds1

About 2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine

2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine (PubChem CID 114539933) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine
PubChem CID114539933
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1C1CCC(C)C1)CC(C)(C)CC2N
InChIInChI=1S/C17H28N2/c1-11-5-6-13(7-11)19-12(2)8-14-15(18)9-17(3,4)10-16(14)19/h8,11,13,15H,5-7,9-10,18H2,1-4H3
InChIKeyUKQMTKNINAEGKR-UHFFFAOYSA-N
XLogP4.13
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethyloxan-4-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 83035477
1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 83016943
6,6-dimethyl-1-[(3-methylcyclopentyl)methyl]-5,7-dihydro-4H-indol-4-amine
CID 107415147
1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 113464841
1-(3,5-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 64734465
1-cyclooctyl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63466063
2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine
CID 83023419
1-(2-cyclopentylethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63466449
1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63464666
1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 106223790
2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine
CID 113466885
1-(3,4-dimethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 64743500

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine (CID 114539933) is 2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine is Cc1cc2c(n1C1CCC(C)C1)CC(C)(C)CC2N.
What is the InChIKey of 2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine?
The InChIKey is UKQMTKNINAEGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-11-5-6-13(7-11)19-12(2)8-14-15(18)9-17(3,4)10-16(14)19/h8,11,13,15H,5-7,9-10,18H2,1-4H3.
What are the key properties of 2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine?
2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine has a molecular weight of 260.42 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 114539933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).