2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine

C13H27NS — CID 115896663

IUPAC2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCCC1CCCC1NCCSCC(C)C
InChIInChI=1S/C13H27NS/c1-4-12-6-5-7-13(12)14-8-9-15-10-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyQXPBMEIJZNMVDL-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.54
Rot. Bonds7

About 2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine

2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine (PubChem CID 115896663) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine
PubChem CID115896663
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCCC1CCCC1NCCSCC(C)C
InChIInChI=1S/C13H27NS/c1-4-12-6-5-7-13(12)14-8-9-15-10-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyQXPBMEIJZNMVDL-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylpropylsulfanyl)ethyl]cyclopropanamine
CID 61385742
[2-(2-ethylsulfanylethylamino)cyclopentyl]methanol
CID 104668665
2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
CID 106365119
(2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol
CID 96784202
2-N,2-N-diethyl-1-N-(2-ethylcyclopentyl)propane-1,2-diamine
CID 115708738
2-(3-methylbutyl)-N-propylcyclopentan-1-amine
CID 61381970
2,2-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine
CID 115896665
2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine
CID 113483440
2-ethyl-N-heptylcyclohexan-1-amine
CID 43709374
2-ethyl-N-(2-ethylsulfinylethyl)cyclopentan-1-amine
CID 115719034
3-[(2-ethylcyclohexyl)amino]propanamide
CID 61466861
3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol
CID 115714750

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine (CID 115896663) is 2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine is CCC1CCCC1NCCSCC(C)C.
What is the InChIKey of 2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine?
The InChIKey is QXPBMEIJZNMVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-4-12-6-5-7-13(12)14-8-9-15-10-11(2)3/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine?
2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 115896663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).