N,2,2-trimethyl-5-(3-methylbutylsulfanyl)cyclopentan-1-amine

C13H27NS — CID 107764178

IUPACN,2,2-trimethyl-5-(3-methylbutylsulfanyl)cyclopentan-1-amine
SMILESCNC1C(SCCC(C)C)CCC1(C)C
InChIInChI=1S/C13H27NS/c1-10(2)7-9-15-11-6-8-13(3,4)12(11)14-5/h10-12,14H,6-9H2,1-5H3
InChIKeyWUOMMWQQTDIQAZ-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.54
Rot. Bonds5

About N,2,2-trimethyl-5-(3-methylbutylsulfanyl)cyclopentan-1-amine

N,2,2-trimethyl-5-(3-methylbutylsulfanyl)cyclopentan-1-amine (PubChem CID 107764178) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is N,2,2-trimethyl-5-(3-methylbutylsulfanyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-5-(3-methylbutylsulfanyl)cyclopentan-1-amine
PubChem CID107764178
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC NameN,2,2-trimethyl-5-(3-methylbutylsulfanyl)cyclopentan-1-amine
SMILESCNC1C(SCCC(C)C)CCC1(C)C
InChIInChI=1S/C13H27NS/c1-10(2)7-9-15-11-6-8-13(3,4)12(11)14-5/h10-12,14H,6-9H2,1-5H3
InChIKeyWUOMMWQQTDIQAZ-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-5-(3-methylbutylsulfanyl)cyclopentan-1-amine?
The IUPAC name of N,2,2-trimethyl-5-(3-methylbutylsulfanyl)cyclopentan-1-amine (CID 107764178) is N,2,2-trimethyl-5-(3-methylbutylsulfanyl)cyclopentan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-5-(3-methylbutylsulfanyl)cyclopentan-1-amine?
The canonical SMILES for N,2,2-trimethyl-5-(3-methylbutylsulfanyl)cyclopentan-1-amine is CNC1C(SCCC(C)C)CCC1(C)C.
What is the InChIKey of N,2,2-trimethyl-5-(3-methylbutylsulfanyl)cyclopentan-1-amine?
The InChIKey is WUOMMWQQTDIQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-10(2)7-9-15-11-6-8-13(3,4)12(11)14-5/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N,2,2-trimethyl-5-(3-methylbutylsulfanyl)cyclopentan-1-amine?
N,2,2-trimethyl-5-(3-methylbutylsulfanyl)cyclopentan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-5-(3-methylbutylsulfanyl)cyclopentan-1-amine is sourced from PubChem (CID 107764178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).