3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine

C12H25NS — CID 64500716

IUPAC3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine
SMILESCCC1CCC(NCC(C)CSC)C1
InChIInChI=1S/C12H25NS/c1-4-11-5-6-12(7-11)13-8-10(2)9-14-3/h10-13H,4-9H2,1-3H3
InChIKeyXAAYUUQRUOEUAX-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.15
Rot. Bonds6

About 3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine

3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine (PubChem CID 64500716) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine
PubChem CID64500716
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine
SMILESCCC1CCC(NCC(C)CSC)C1
InChIInChI=1S/C12H25NS/c1-4-11-5-6-12(7-11)13-8-10(2)9-14-3/h10-13H,4-9H2,1-3H3
InChIKeyXAAYUUQRUOEUAX-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine
CID 65091091
3-methyl-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine
CID 104859794
N-(2-methyl-3-methylsulfanylpropyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091044
N-(2-methyl-3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755687
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine
CID 65079994
N-[2-methyl-3-(2-methylbutylsulfanyl)propyl]cyclopropanamine
CID 107754143
N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine
CID 107754118
(3R)-3-ethyl-N-methylcyclopentan-1-amine
CID 143473182
N'-(3-ethylcyclopentyl)-3-methylhexane-1,6-diamine
CID 141360675
1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine
CID 81344474
2-(cyclopropylamino)-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63960182
N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine
CID 64742405

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine?
The IUPAC name of 3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine (CID 64500716) is 3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine is CCC1CCC(NCC(C)CSC)C1.
What is the InChIKey of 3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine?
The InChIKey is XAAYUUQRUOEUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-4-11-5-6-12(7-11)13-8-10(2)9-14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine?
3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 64500716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).