N-(cyclohexylmethyl)-2-methylsulfanylethanamine

C10H21NS — CID 60663628

IUPACN-(cyclohexylmethyl)-2-methylsulfanylethanamine
SMILESCSCCNCC1CCCCC1
InChIInChI=1S/C10H21NS/c1-12-8-7-11-9-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3
InChIKeyQDAMJGYJMLRGQO-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds5

About N-(cyclohexylmethyl)-2-methylsulfanylethanamine

N-(cyclohexylmethyl)-2-methylsulfanylethanamine (PubChem CID 60663628) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-methylsulfanylethanamine
PubChem CID60663628
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-(cyclohexylmethyl)-2-methylsulfanylethanamine
SMILESCSCCNCC1CCCCC1
InChIInChI=1S/C10H21NS/c1-12-8-7-11-9-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3
InChIKeyQDAMJGYJMLRGQO-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.52
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

Ethanethiol, 2-((3-cyclohexylpropyl)amino)-, hydrochloride
CID 217523
Ethanethiol, 2-((2-cyclohexylbutyl)amino)-, hydrochloride
CID 217525
Ethanethiol, 2-((4-cyclohexylbutyl)amino)-, hydrochloride
CID 217527
Ethanethiol, 2-((4-cyclohexylpentyl)amino)-, hydrochloride
CID 217531
2-Cyclohexyl-5-methyl-1,3-thiazolidine
CID 3087736
1-Thia-4-azaspiro(5.5)undecane
CID 58300401
N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine
CID 100920931
2-(3-Cyclohexylpropylamino)ethanethiol
CID 217524
2-(2-Cyclohexylbutylamino)ethanethiol
CID 217526
2-(4-Cyclohexylbutylamino)ethanethiol
CID 217528
2-(4-Cyclohexylpentylamino)ethanethiol
CID 217532
2-[2-(3-Methylcyclohexyl)butylamino]ethanethiol
CID 217534

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-methylsulfanylethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-methylsulfanylethanamine (CID 60663628) is N-(cyclohexylmethyl)-2-methylsulfanylethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-methylsulfanylethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-methylsulfanylethanamine is CSCCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-methylsulfanylethanamine?
The InChIKey is QDAMJGYJMLRGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-12-8-7-11-9-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2-methylsulfanylethanamine?
N-(cyclohexylmethyl)-2-methylsulfanylethanamine has a molecular weight of 187.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-methylsulfanylethanamine is sourced from PubChem (CID 60663628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).