4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine

C14H27NS — CID 103786599

IUPAC4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine
SMILESCCC1CCC(NC2CCCC2SC)CC1
InChIInChI=1S/C14H27NS/c1-3-11-7-9-12(10-8-11)15-13-5-4-6-14(13)16-2/h11-15H,3-10H2,1-2H3
InChIKeyQGZIKCUMUXABIN-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.83
Rot. Bonds4

About 4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine

4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine (PubChem CID 103786599) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine
PubChem CID103786599
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine
SMILESCCC1CCC(NC2CCCC2SC)CC1
InChIInChI=1S/C14H27NS/c1-3-11-7-9-12(10-8-11)15-13-5-4-6-14(13)16-2/h11-15H,3-10H2,1-2H3
InChIKeyQGZIKCUMUXABIN-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-N-(2-methylsulfanylcyclohexyl)piperidin-4-amine
CID 113259889
1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine
CID 97323051
N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine
CID 127015746
3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine
CID 104531263
N-(2-methylsulfanylcyclohexyl)oxepan-4-amine
CID 103894919
4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine
CID 65088157
1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine
CID 103859823
ethyl 3-[(2-methylsulfanylcyclohexyl)amino]cyclohexane-1-carboxylate
CID 104879712
(1R)-4-ethyl-N-methylcycloheptan-1-amine
CID 155058936
2-methylsulfanyl-N-(2-propylcyclopropyl)cyclohexan-1-amine
CID 115892184
N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine
CID 103729880
3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine
CID 64623583

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine (CID 103786599) is 4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine is CCC1CCC(NC2CCCC2SC)CC1.
What is the InChIKey of 4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine?
The InChIKey is QGZIKCUMUXABIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-3-11-7-9-12(10-8-11)15-13-5-4-6-14(13)16-2/h11-15H,3-10H2,1-2H3.
What are the key properties of 4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine?
4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine has a molecular weight of 241.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine is sourced from PubChem (CID 103786599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).