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

C13H27NS — CID 115896665

IUPAC2,2-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCC(C)CSCCNC1CCCC1(C)C
InChIInChI=1S/C13H27NS/c1-11(2)10-15-9-8-14-12-6-5-7-13(12,3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyNLYSUQSGLZESEI-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.54
Rot. Bonds6

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

2,2-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine (PubChem CID 115896665) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine
PubChem CID115896665
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name2,2-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCC(C)CSCCNC1CCCC1(C)C
InChIInChI=1S/C13H27NS/c1-11(2)10-15-9-8-14-12-6-5-7-13(12,3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyNLYSUQSGLZESEI-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
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
3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol
CID 79865194
2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 79834768
N'-butan-2-yl-N-(2,2-dimethylcyclopentyl)-N'-methylethane-1,2-diamine
CID 115716401
2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79828821
N-(2-cyclopropylpropyl)-2,2-dimethylcyclopentan-1-amine
CID 115713968
N-ethyl-2,2-dimethylcyclopentan-1-amine;hydrochloride
CID 154577104
4-[(2,2-dimethylcyclopentyl)amino]butan-2-one
CID 145476658
2-ethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine
CID 115896663
4-[(2,2-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
CID 79856763
1-N-(2,2-dimethylcyclopentyl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 79864207
N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine
CID 115704494

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine (CID 115896665) is 2,2-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine is CC(C)CSCCNC1CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine?
The InChIKey is NLYSUQSGLZESEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-11(2)10-15-9-8-14-12-6-5-7-13(12,3)4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine?
2,2-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-methylpropylsulfanyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 115896665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).