2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine

C19H29NS — CID 64648078

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C19H29NS/c1-4-20-17-10-11-19(2,3)13-18(17)21-16-9-8-14-6-5-7-15(14)12-16/h8-9,12,17-18,20H,4-7,10-11,13H2,1-3H3
InChIKeyAZTJRLYNBLVCNI-UHFFFAOYSA-N
MW303.51 g/mol
LogP4.82
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine (PubChem CID 64648078) has the molecular formula C19H29NS and a molecular weight of 303.51 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine
PubChem CID64648078
Molecular FormulaC19H29NS
Molecular Weight303.51 g/mol
Exact Mass303.20
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C19H29NS/c1-4-20-17-10-11-19(2,3)13-18(17)21-16-9-8-14-6-5-7-15(14)12-16/h8-9,12,17-18,20H,4-7,10-11,13H2,1-3H3
InChIKeyAZTJRLYNBLVCNI-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 ≤ 500303.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine (CID 64648078) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine is CCNC1CCC(C)(C)CC1Sc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The InChIKey is AZTJRLYNBLVCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NS/c1-4-20-17-10-11-19(2,3)13-18(17)21-16-9-8-14-6-5-7-15(14)12-16/h8-9,12,17-18,20H,4-7,10-11,13H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine has a molecular weight of 303.51 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 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64648078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).