2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine

C15H29NS — CID 65139249

IUPAC2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine
SMILESCCC1CCCC(C(N)CSC2CCCC2)C1
InChIInChI=1S/C15H29NS/c1-2-12-6-5-7-13(10-12)15(16)11-17-14-8-3-4-9-14/h12-15H,2-11,16H2,1H3
InChIKeyORRHZLPQFJHNTD-UHFFFAOYSA-N
MW255.47 g/mol
LogP4.21
Rot. Bonds5

About 2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine

2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine (PubChem CID 65139249) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine
PubChem CID65139249
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine
SMILESCCC1CCCC(C(N)CSC2CCCC2)C1
InChIInChI=1S/C15H29NS/c1-2-12-6-5-7-13(10-12)15(16)11-17-14-8-3-4-9-14/h12-15H,2-11,16H2,1H3
InChIKeyORRHZLPQFJHNTD-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine
CID 65138768
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine
CID 104992511
1-(3-ethylcyclohexyl)-3-methylsulfonylpropan-1-amine
CID 65415549
1-(3-ethylcyclohexyl)hex-5-en-1-amine
CID 65413113
1-(3-ethylcyclopentyl)propan-1-amine
CID 65410017
1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine
CID 79493446
(3-ethylcyclohexyl)-(1-methoxycyclobutyl)methanamine
CID 116714053
[2-cyclopentylsulfanyl-1-(3-methylcyclohexyl)ethyl]hydrazine
CID 105227418
(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415745
2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
1-cyclopentylsulfanylpentan-2-amine
CID 64628608
1-cyclopentyl-2-methylsulfanylethanamine
CID 62691520

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine (CID 65139249) is 2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine is CCC1CCCC(C(N)CSC2CCCC2)C1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine?
The InChIKey is ORRHZLPQFJHNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-2-12-6-5-7-13(10-12)15(16)11-17-14-8-3-4-9-14/h12-15H,2-11,16H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine?
2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine has a molecular weight of 255.47 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine is sourced from PubChem (CID 65139249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).