2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine

C16H27N3 — CID 83023419

IUPAC2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1N1CCCCC1)CC(C)(C)CC2N
InChIInChI=1S/C16H27N3/c1-12-9-13-14(17)10-16(2,3)11-15(13)19(12)18-7-5-4-6-8-18/h9,14H,4-8,10-11,17H2,1-3H3
InChIKeyNFBPMIBHQIFPHG-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.89
Rot. Bonds1

About 2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine

2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine (PubChem CID 83023419) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine
PubChem CID83023419
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1N1CCCCC1)CC(C)(C)CC2N
InChIInChI=1S/C16H27N3/c1-12-9-13-14(17)10-16(2,3)11-15(13)19(12)18-7-5-4-6-8-18/h9,14H,4-8,10-11,17H2,1-3H3
InChIKeyNFBPMIBHQIFPHG-UHFFFAOYSA-N
XLogP2.89
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 83016943
1-(2-cyclopentylethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63466449
1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63465933
1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 113464841
1-hex-1-yn-3-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 106223790
2,6,6-trimethyl-1-(3-methylcyclopentyl)-5,7-dihydro-4H-indol-4-amine
CID 114539933
2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine
CID 113466885
2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine
CID 113466125
2,6,6-trimethyl-1-(2-prop-2-ynylsulfanylethyl)-5,7-dihydro-4H-indol-4-amine
CID 106432346
1-(4-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63466075
1-(5-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63466244
2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine
CID 106003163

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine (CID 83023419) is 2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine is Cc1cc2c(n1N1CCCCC1)CC(C)(C)CC2N.
What is the InChIKey of 2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is NFBPMIBHQIFPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-9-13-14(17)10-16(2,3)11-15(13)19(12)18-7-5-4-6-8-18/h9,14H,4-8,10-11,17H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine?
2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 261.41 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 83023419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).