2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine

C16H31NS — CID 79576187

IUPAC2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCSC1CCCCC1
InChIInChI=1S/C16H31NS/c1-2-12-17-16-10-6-7-14(16)11-13-18-15-8-4-3-5-9-15/h14-17H,2-13H2,1H3
InChIKeyIQJYPVVDFSXKAF-UHFFFAOYSA-N
MW269.50 g/mol
LogP4.61
Rot. Bonds7

About 2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine

2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine (PubChem CID 79576187) has the molecular formula C16H31NS and a molecular weight of 269.50 g/mol. Its IUPAC name is 2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine
PubChem CID79576187
Molecular FormulaC16H31NS
Molecular Weight269.50 g/mol
Exact Mass269.22
IUPAC Name2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCSC1CCCCC1
InChIInChI=1S/C16H31NS/c1-2-12-17-16-10-6-7-14(16)11-13-18-15-8-4-3-5-9-15/h14-17H,2-13H2,1H3
InChIKeyIQJYPVVDFSXKAF-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine
CID 79576807
2-(3-methylbutyl)-N-propylcyclopentan-1-amine
CID 61381970
2-[2-[cyclopropyl(methyl)amino]ethyl]-N-propylcyclopentan-1-amine
CID 79569650
2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine
CID 79588291
2-[2-(diethylamino)ethyl]-N-propylcyclopentan-1-amine
CID 79569636
2-[2-(oxolan-2-yl)ethyl]-N-propylcyclopentan-1-amine
CID 65163066
2-(2-cyclohexylsulfanylethyl)cyclopentan-1-amine
CID 79576536
2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine
CID 64627611
trans-(1R,2S)-N-ethyl-2-propylcyclopentan-1-amine
CID 11665449
2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
CID 79577348
N-ethyl-N-[[2-(propylamino)cyclopentyl]methyl]cyclohexanamine
CID 62615159
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine (CID 79576187) is 2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCSC1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine?
The InChIKey is IQJYPVVDFSXKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NS/c1-2-12-17-16-10-6-7-14(16)11-13-18-15-8-4-3-5-9-15/h14-17H,2-13H2,1H3.
What are the key properties of 2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine?
2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine has a molecular weight of 269.50 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79576187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).