2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine

C18H29NS — CID 116544464

IUPAC2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(CSC2CCCC2)NCC)c1
InChIInChI=1S/C18H29NS/c1-3-8-15-9-7-10-16(13-15)18(19-4-2)14-20-17-11-5-6-12-17/h7,9-10,13,17-19H,3-6,8,11-12,14H2,1-2H3
InChIKeyKGBXHLJZLGLCOL-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.97
Rot. Bonds8

About 2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine

2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine (PubChem CID 116544464) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine
PubChem CID116544464
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(CSC2CCCC2)NCC)c1
InChIInChI=1S/C18H29NS/c1-3-8-15-9-7-10-16(13-15)18(19-4-2)14-20-17-11-5-6-12-17/h7,9-10,13,17-19H,3-6,8,11-12,14H2,1-2H3
InChIKeyKGBXHLJZLGLCOL-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine
CID 116544428
[2-cyclohexylsulfanyl-1-(3-ethylphenyl)ethyl]hydrazine
CID 105227705
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64634423
N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine
CID 64628015
N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine
CID 116545086
N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
CID 116544538
N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
CID 116544896
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64628346
N-ethyl-1-(3-propylphenyl)-2-(thian-4-yl)ethanamine
CID 105188025
2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine
CID 65140510
2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64632442

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine (CID 116544464) is 2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine is CCCc1cccc(C(CSC2CCCC2)NCC)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine?
The InChIKey is KGBXHLJZLGLCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-3-8-15-9-7-10-16(13-15)18(19-4-2)14-20-17-11-5-6-12-17/h7,9-10,13,17-19H,3-6,8,11-12,14H2,1-2H3.
What are the key properties of 2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine?
2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine has a molecular weight of 291.50 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-ethyl-1-(3-propylphenyl)ethanamine is sourced from PubChem (CID 116544464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).