N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine

C14H27NS — CID 115721250

IUPACN-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
SMILESCCC1CCCC1NC1CCCC(SC)C1
InChIInChI=1S/C14H27NS/c1-3-11-6-4-9-14(11)15-12-7-5-8-13(10-12)16-2/h11-15H,3-10H2,1-2H3
InChIKeyDKZDECZFPBYDHO-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.83
Rot. Bonds4

About N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine

N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine (PubChem CID 115721250) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
PubChem CID115721250
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC NameN-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
SMILESCCC1CCCC1NC1CCCC(SC)C1
InChIInChI=1S/C14H27NS/c1-3-11-6-4-9-14(11)15-12-7-5-8-13(10-12)16-2/h11-15H,3-10H2,1-2H3
InChIKeyDKZDECZFPBYDHO-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

N-(2-methylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
CID 115689388
2-ethyl-N-(2-ethylcyclopropyl)cyclohexan-1-amine
CID 103960948
N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine
CID 115886375
N-(3,3-dimethylcyclobutyl)-2-ethylcyclopentan-1-amine
CID 130685162
1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine
CID 80559999
N-(2-ethylcyclopentyl)thian-3-amine
CID 115726681
3-cyclopropyl-N-(2-ethylcyclopropyl)cyclohexan-1-amine
CID 103783850
N-(2-ethylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115709909
N-(2-ethylcyclopropyl)cyclooctanamine
CID 103783809
2-ethyl-N-(3-methoxycyclobutyl)cyclohexan-1-amine
CID 104584298
N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine
CID 104871503
N-(2-ethylcyclohexyl)-1-methylazetidin-3-amine
CID 131160327

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine (CID 115721250) is N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine is CCC1CCCC1NC1CCCC(SC)C1.
What is the InChIKey of N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine?
The InChIKey is DKZDECZFPBYDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-3-11-6-4-9-14(11)15-12-7-5-8-13(10-12)16-2/h11-15H,3-10H2,1-2H3.
What are the key properties of N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine?
N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-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 N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 115721250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).