2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine

C16H34N2S — CID 79576807

IUPAC2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCSCCN(CC)CC
InChIInChI=1S/C16H34N2S/c1-4-11-17-16-9-7-8-15(16)10-13-19-14-12-18(5-2)6-3/h15-17H,4-14H2,1-3H3
InChIKeyHWFZRLBVBYCMIH-UHFFFAOYSA-N
MW286.53 g/mol
LogP3.62
Rot. Bonds11

About 2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine

2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine (PubChem CID 79576807) has the molecular formula C16H34N2S and a molecular weight of 286.53 g/mol. Its IUPAC name is 2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine
PubChem CID79576807
Molecular FormulaC16H34N2S
Molecular Weight286.53 g/mol
Exact Mass286.24
IUPAC Name2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCSCCN(CC)CC
InChIInChI=1S/C16H34N2S/c1-4-11-17-16-9-7-8-15(16)10-13-19-14-12-18(5-2)6-3/h15-17H,4-14H2,1-3H3
InChIKeyHWFZRLBVBYCMIH-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(diethylamino)ethyl]-N-propylcyclopentan-1-amine
CID 79569636
2-[2-[cyclopropyl(methyl)amino]ethyl]-N-propylcyclopentan-1-amine
CID 79569650
2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine
CID 79576187
2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62616700
2-(3-methylbutyl)-N-propylcyclopentan-1-amine
CID 61381970
N,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 79573661
2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
CID 79577348
2-[2-(2-propoxyethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 79573655
N-ethyl-N-[[2-(propylamino)cyclopentyl]methyl]cyclohexanamine
CID 62615159
N-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine
CID 79576785
N-propyl-2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79573057
2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-N,N-diethylethanamine
CID 66474168

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine (CID 79576807) is 2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCSCCN(CC)CC.
What is the InChIKey of 2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine?
The InChIKey is HWFZRLBVBYCMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2S/c1-4-11-17-16-9-7-8-15(16)10-13-19-14-12-18(5-2)6-3/h15-17H,4-14H2,1-3H3.
What are the key properties of 2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine?
2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine has a molecular weight of 286.53 g/mol, XLogP of 3.62, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(diethylamino)ethylsulfanyl]ethyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79576807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).