3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine

C13H25NS — CID 104531263

IUPAC3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine
SMILESCSC1CCCC1NC1CCC(C)(C)C1
InChIInChI=1S/C13H25NS/c1-13(2)8-7-10(9-13)14-11-5-4-6-12(11)15-3/h10-12,14H,4-9H2,1-3H3
InChIKeyIOFKKUHUEKIGLV-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.44
Rot. Bonds3

About 3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine

3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine (PubChem CID 104531263) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine
PubChem CID104531263
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine
SMILESCSC1CCCC1NC1CCC(C)(C)C1
InChIInChI=1S/C13H25NS/c1-13(2)8-7-10(9-13)14-11-5-4-6-12(11)15-3/h10-12,14H,4-9H2,1-3H3
InChIKeyIOFKKUHUEKIGLV-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 80693580
N-cyclobutyl-2-methylsulfanylcyclobutan-1-amine
CID 130622334
N-(3,3-dimethylcyclopentyl)-2-methoxycyclohexan-1-amine
CID 104531259
N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
CID 103791802
N-(3,3-dimethylcyclopentyl)cyclododecanamine
CID 114544295
N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 103904016
N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 103907294
N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine
CID 127015746
trans-(1R,2R)-2-[(3,3-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 102733867
4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine
CID 103786599
N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 103904026
1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine
CID 103859823

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine (CID 104531263) is 3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine is CSC1CCCC1NC1CCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine?
The InChIKey is IOFKKUHUEKIGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-13(2)8-7-10(9-13)14-11-5-4-6-12(11)15-3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine?
3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine has a molecular weight of 227.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine is sourced from PubChem (CID 104531263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).