2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride

C11H24ClNS — CID 22723059

IUPAC2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride
SMILESCSCCNCCC1CCCCC1.Cl
InChIInChI=1S/C11H23NS.ClH/c1-13-10-9-12-8-7-11-5-3-2-4-6-11;/h11-12H,2-10H2,1H3;1H
InChIKeyJDHXAEIDJDYVGW-UHFFFAOYSA-N
MW237.84 g/mol
LogP3.33
Rot. Bonds6

About 2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride

2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride (PubChem CID 22723059) has the molecular formula C11H24ClNS and a molecular weight of 237.84 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride
PubChem CID22723059
Molecular FormulaC11H24ClNS
Molecular Weight237.84 g/mol
Exact Mass237.13
IUPAC Name2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride
SMILESCSCCNCCC1CCCCC1.Cl
InChIInChI=1S/C11H23NS.ClH/c1-13-10-9-12-8-7-11-5-3-2-4-6-11;/h11-12H,2-10H2,1H3;1H
InChIKeyJDHXAEIDJDYVGW-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.84
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine
CID 12017335
2-methylsulfanylethylcyclohexane
CID 14024904
N-(2-cyclohexylethyl)butan-1-amine;hydrochloride
CID 57440786
2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141
2-(2-cyclopentylethylamino)ethanol;hydrochloride
CID 22723115
2-(2-cycloheptylethylamino)ethanol
CID 22723010
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561
N'-(2-cyclopentylethyl)ethane-1,2-diamine
CID 57274460
3-(2-cycloheptylethylamino)propan-1-ol
CID 114457835
2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
CID 114628849
(2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide
CID 61178313

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride?
The IUPAC name of 2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride (CID 22723059) is 2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride is CSCCNCCC1CCCCC1.Cl.
What is the InChIKey of 2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride?
The InChIKey is JDHXAEIDJDYVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS.ClH/c1-13-10-9-12-8-7-11-5-3-2-4-6-11;/h11-12H,2-10H2,1H3;1H.
What are the key properties of 2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride?
2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride has a molecular weight of 237.84 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride is sourced from PubChem (CID 22723059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).