6,6-dimethyl-1-(thiophen-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine

C15H20N2S — CID 63243517

IUPAC6,6-dimethyl-1-(thiophen-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2Cc2ccsc2)C(N)C1
InChIInChI=1S/C15H20N2S/c1-15(2)7-13(16)12-3-5-17(14(12)8-15)9-11-4-6-18-10-11/h3-6,10,13H,7-9,16H2,1-2H3
InChIKeyRCWPOZKWMBTPCZ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.57
Rot. Bonds2

About 6,6-dimethyl-1-(thiophen-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine

6,6-dimethyl-1-(thiophen-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine (PubChem CID 63243517) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 6,6-dimethyl-1-(thiophen-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name6,6-dimethyl-1-(thiophen-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine
PubChem CID63243517
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name6,6-dimethyl-1-(thiophen-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2Cc2ccsc2)C(N)C1
InChIInChI=1S/C15H20N2S/c1-15(2)7-13(16)12-3-5-17(14(12)8-15)9-11-4-6-18-10-11/h3-6,10,13H,7-9,16H2,1-2H3
InChIKeyRCWPOZKWMBTPCZ-UHFFFAOYSA-N
XLogP3.57
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 106900702
6,6-dimethyl-1-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine
CID 81177185
6,6-dimethyl-1-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine
CID 55206124
6,6-dimethyl-1-(3-methylbut-2-enyl)-5,7-dihydro-4H-indol-4-amine
CID 114155626
1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 115991601
6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5,7-dihydro-4H-indol-4-amine
CID 114516610
6,6-dimethyl-1-(4-propan-2-yloxybutyl)-5,7-dihydro-4H-indol-4-amine
CID 106008311
5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine
CID 65177525
6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine
CID 62902164
6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine
CID 107645961
1-(4-ethylcyclohexyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 63466459
1-(3-methoxycyclobutyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 114120203

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(thiophen-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 6,6-dimethyl-1-(thiophen-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine (CID 63243517) is 6,6-dimethyl-1-(thiophen-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 6,6-dimethyl-1-(thiophen-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 6,6-dimethyl-1-(thiophen-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine is CC1(C)Cc2c(ccn2Cc2ccsc2)C(N)C1.
What is the InChIKey of 6,6-dimethyl-1-(thiophen-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine?
The InChIKey is RCWPOZKWMBTPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-15(2)7-13(16)12-3-5-17(14(12)8-15)9-11-4-6-18-10-11/h3-6,10,13H,7-9,16H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-(thiophen-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine?
6,6-dimethyl-1-(thiophen-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine has a molecular weight of 260.41 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(thiophen-3-ylmethyl)-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 63243517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).