N-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine

C13H27NS — CID 115689631

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine
SMILESCCC(CC)(CNC1CCCC1C)SC
InChIInChI=1S/C13H27NS/c1-5-13(6-2,15-4)10-14-12-9-7-8-11(12)3/h11-12,14H,5-10H2,1-4H3
InChIKeyFWBUCXLGWBYAFD-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.69
Rot. Bonds6

About N-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine

N-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine (PubChem CID 115689631) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine
PubChem CID115689631
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine
SMILESCCC(CC)(CNC1CCCC1C)SC
InChIInChI=1S/C13H27NS/c1-5-13(6-2,15-4)10-14-12-9-7-8-11(12)3/h11-12,14H,5-10H2,1-4H3
InChIKeyFWBUCXLGWBYAFD-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 63278251
trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
CID 71351363
N-(2-bromo-2,2-difluoroethyl)-2-methylcyclopentan-1-amine
CID 130709137
2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol
CID 114493275
N,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
CID 96923102
N-ethyl-2-methylcyclohexan-1-amine;hydrochloride
CID 50988234
4-[(2-methylcyclopentyl)amino]butan-2-ol
CID 65046023
2-methyl-N-(3-methylsulfanylpropyl)cyclopentan-1-amine
CID 63278127
2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclopentan-1-amine
CID 107267414
N-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine
CID 115689067
ethanol;2-methyl-N-propylcyclopentan-1-amine
CID 89249243
(2R)-1-[[(1R,2R)-2-methylcyclopentyl]amino]propan-2-ol
CID 95377482

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine (CID 115689631) is N-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine is CCC(CC)(CNC1CCCC1C)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine?
The InChIKey is FWBUCXLGWBYAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-5-13(6-2,15-4)10-14-12-9-7-8-11(12)3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine?
N-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 115689631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).