1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine

C18H29NS — CID 104755967

IUPAC1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine
SMILESCCNC(CSCc1cc(C)cc(C)c1)C1CCCC1
InChIInChI=1S/C18H29NS/c1-4-19-18(17-7-5-6-8-17)13-20-12-16-10-14(2)9-15(3)11-16/h9-11,17-19H,4-8,12-13H2,1-3H3
InChIKeyRRWMXUDIGUDNNF-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.70
Rot. Bonds7

About 1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine

1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine (PubChem CID 104755967) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine
PubChem CID104755967
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine
SMILESCCNC(CSCc1cc(C)cc(C)c1)C1CCCC1
InChIInChI=1S/C18H29NS/c1-4-19-18(17-7-5-6-8-17)13-20-12-16-10-14(2)9-15(3)11-16/h9-11,17-19H,4-8,12-13H2,1-3H3
InChIKeyRRWMXUDIGUDNNF-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butylsulfanyl-1-cyclopentyl-N-ethylethanamine
CID 104755000
2-tert-butylsulfanyl-1-cyclopentyl-N-ethylethanamine
CID 65132569
1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine
CID 107511520
1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528977
tert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate
CID 116687889
(1R)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81395487
(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81386110
1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine
CID 104748853
2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide
CID 114232165
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine
CID 104755464
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 65328912

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine?
The IUPAC name of 1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine (CID 104755967) is 1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine.
What is the SMILES notation for 1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine?
The canonical SMILES for 1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine is CCNC(CSCc1cc(C)cc(C)c1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine?
The InChIKey is RRWMXUDIGUDNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-4-19-18(17-7-5-6-8-17)13-20-12-16-10-14(2)9-15(3)11-16/h9-11,17-19H,4-8,12-13H2,1-3H3.
What are the key properties of 1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine?
1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine has a molecular weight of 291.50 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine is sourced from PubChem (CID 104755967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).