N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine

C18H33NS — CID 106653177

IUPACN-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC1CCCC1)C1=CCCCCCC1
InChIInChI=1S/C18H33NS/c1-2-14-19-18(15-20-17-12-8-9-13-17)16-10-6-4-3-5-7-11-16/h10,17-19H,2-9,11-15H2,1H3
InChIKeySBYJOOISSIAOES-UHFFFAOYSA-N
MW295.54 g/mol
LogP5.31
Rot. Bonds7

About N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine

N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine (PubChem CID 106653177) has the molecular formula C18H33NS and a molecular weight of 295.54 g/mol. Its IUPAC name is N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine
PubChem CID106653177
Molecular FormulaC18H33NS
Molecular Weight295.54 g/mol
Exact Mass295.23
IUPAC NameN-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC1CCCC1)C1=CCCCCCC1
InChIInChI=1S/C18H33NS/c1-2-14-19-18(15-20-17-12-8-9-13-17)16-10-6-4-3-5-7-11-16/h10,17-19H,2-9,11-15H2,1H3
InChIKeySBYJOOISSIAOES-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine
CID 106653171
[1-(cyclohepten-1-yl)-2-cyclohexylsulfanylethyl]hydrazine
CID 106649004
N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine
CID 63505316
N-[1-(cyclohepten-1-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 106653153
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine
CID 106653178
1-(cyclopenten-1-yl)-3-cyclopentyl-N-propylpropan-1-amine
CID 55196271
N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine
CID 64628015
N-[1-(cyclopenten-1-yl)-2-cyclopropylethyl]propan-1-amine
CID 62079426
N-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 65144595
N-[2-cyclobutyl-1-(cyclopenten-1-yl)ethyl]propan-1-amine
CID 103163068
1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 62078170

Frequently Asked Questions

What is the IUPAC name of N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine (CID 106653177) is N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine is CCCNC(CSC1CCCC1)C1=CCCCCCC1.
What is the InChIKey of N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine?
The InChIKey is SBYJOOISSIAOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NS/c1-2-14-19-18(15-20-17-12-8-9-13-17)16-10-6-4-3-5-7-11-16/h10,17-19H,2-9,11-15H2,1H3.
What are the key properties of N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine?
N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine has a molecular weight of 295.54 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 106653177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).