2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine

C19H29NS — CID 64647878

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(Sc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C19H29NS/c1-3-5-14-8-11-18(20-2)19(12-14)21-17-10-9-15-6-4-7-16(15)13-17/h9-10,13-14,18-20H,3-8,11-12H2,1-2H3
InChIKeyMHYLGOBWGCSFGA-UHFFFAOYSA-N
MW303.52 g/mol
LogP4.82
Rot. Bonds5

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

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 64647878) has the molecular formula C19H29NS and a molecular weight of 303.52 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine
PubChem CID64647878
Molecular FormulaC19H29NS
Molecular Weight303.52 g/mol
Exact Mass303.20
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(Sc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C19H29NS/c1-3-5-14-8-11-18(20-2)19(12-14)21-17-10-9-15-6-4-7-16(15)13-17/h9-10,13-14,18-20H,3-8,11-12H2,1-2H3
InChIKeyMHYLGOBWGCSFGA-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine
CID 64647886
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 64648465
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexan-1-amine
CID 64648277
N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine
CID 106927660
N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine
CID 64634825
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 64648078
[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine
CID 81012326
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexane-1-carboxylic acid
CID 63531678
N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide
CID 64648574
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79841946
2-(2,3-dihydro-1H-inden-5-yloxy)-4-propylcyclohexan-1-ol
CID 63466658
2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine
CID 64620731

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine (CID 64647878) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine is CCCC1CCC(NC)C(Sc2ccc3c(c2)CCC3)C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine?
The InChIKey is MHYLGOBWGCSFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NS/c1-3-5-14-8-11-18(20-2)19(12-14)21-17-10-9-15-6-4-7-16(15)13-17/h9-10,13-14,18-20H,3-8,11-12H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine has a molecular weight of 303.52 g/mol, XLogP of 4.82, 5 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-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 64647878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).