N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine

C14H29NOS — CID 107759913

IUPACN-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine
SMILESCCNC1C(S(=O)CC(C)CC)CCC1(C)C
InChIInChI=1S/C14H29NOS/c1-6-11(3)10-17(16)12-8-9-14(4,5)13(12)15-7-2/h11-13,15H,6-10H2,1-5H3
InChIKeyKXJVAZCTZAAVTM-UHFFFAOYSA-N
MW259.46 g/mol
LogP2.95
Rot. Bonds6

About N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine

N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine (PubChem CID 107759913) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine
PubChem CID107759913
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC NameN-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine
SMILESCCNC1C(S(=O)CC(C)CC)CCC1(C)C
InChIInChI=1S/C14H29NOS/c1-6-11(3)10-17(16)12-8-9-14(4,5)13(12)15-7-2/h11-13,15H,6-10H2,1-5H3
InChIKeyKXJVAZCTZAAVTM-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863357
N-ethyl-2,2-dimethyl-5-methylsulfinylcyclopentan-1-amine
CID 79862329
2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine
CID 107760118
5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 114792164
N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine
CID 79863138
N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine
CID 79862828
N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine
CID 79865601
2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide
CID 114232022
2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine
CID 107759857
5-butan-2-ylsulfanyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863499
2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine
CID 79863242
N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine
CID 107760075

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine (CID 107759913) is N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine is CCNC1C(S(=O)CC(C)CC)CCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine?
The InChIKey is KXJVAZCTZAAVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-6-11(3)10-17(16)12-8-9-14(4,5)13(12)15-7-2/h11-13,15H,6-10H2,1-5H3.
What are the key properties of N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine?
N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine is sourced from PubChem (CID 107759913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).