N-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine

C12H25NS — CID 115689067

IUPACN-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCCSC(C)(C)C
InChIInChI=1S/C12H25NS/c1-10-6-5-7-11(10)13-8-9-14-12(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyLEBKFRXIUVXHDO-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.30
Rot. Bonds4

About N-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine

N-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine (PubChem CID 115689067) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine
PubChem CID115689067
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCCSC(C)(C)C
InChIInChI=1S/C12H25NS/c1-10-6-5-7-11(10)13-8-9-14-12(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyLEBKFRXIUVXHDO-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.30
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

2-methyl-N-(3-methylsulfanylpropyl)cyclopentan-1-amine
CID 63278127
2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine
CID 112589213
2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol
CID 79361747
2-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 63277629
ethanol;2-methyl-N-propylcyclopentan-1-amine
CID 89249243
trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
CID 71351363
2-methyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 63278251
4-[(2-methylcyclopentyl)amino]butan-2-ol
CID 65046023
6-[(2-methylcyclopentyl)amino]hexan-1-ol
CID 115906759
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511
N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
CID 96923135
N-(2-ethoxyethyl)-2-methylcyclopentan-1-amine
CID 63278014

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine (CID 115689067) is N-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine is CC1CCCC1NCCSC(C)(C)C.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine?
The InChIKey is LEBKFRXIUVXHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-10-6-5-7-11(10)13-8-9-14-12(2,3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine?
N-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 115689067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).