6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine

C19H29NS — CID 79841946

IUPAC6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(Sc2ccc3c(c2)CCC3)CCCC1(C)C
InChIInChI=1S/C19H29NS/c1-4-20-18-17(9-6-12-19(18,2)3)21-16-11-10-14-7-5-8-15(14)13-16/h10-11,13,17-18,20H,4-9,12H2,1-3H3
InChIKeyZJPUJDPWUHFWAU-UHFFFAOYSA-N
MW303.52 g/mol
LogP4.82
Rot. Bonds4

About 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine

6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine (PubChem CID 79841946) has the molecular formula C19H29NS and a molecular weight of 303.52 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
PubChem CID79841946
Molecular FormulaC19H29NS
Molecular Weight303.52 g/mol
Exact Mass303.20
IUPAC Name6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(Sc2ccc3c(c2)CCC3)CCCC1(C)C
InChIInChI=1S/C19H29NS/c1-4-20-18-17(9-6-12-19(18,2)3)21-16-11-10-14-7-5-8-15(14)13-16/h10-11,13,17-18,20H,4-9,12H2,1-3H3
InChIKeyZJPUJDPWUHFWAU-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 64648078
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 64648465
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626442
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine
CID 64647886
N,2,2-trimethyl-6-(4-methylphenyl)sulfanylcyclohexan-1-amine
CID 79847351
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine
CID 64647878
[3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(propylamino)cyclopentyl]methanol
CID 79644489
5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79862668
2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine
CID 79847964
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine
CID 64648277
6-(1,3-dihydroisoindol-2-ylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79842628
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexane-1-carboxylic acid
CID 63531678

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine (CID 79841946) is 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine is CCNC1C(Sc2ccc3c(c2)CCC3)CCCC1(C)C.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is ZJPUJDPWUHFWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NS/c1-4-20-18-17(9-6-12-19(18,2)3)21-16-11-10-14-7-5-8-15(14)13-16/h10-11,13,17-18,20H,4-9,12H2,1-3H3.
What are the key properties of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 303.52 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79841946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).