1-[[ethylsulfanyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine

C11H24N2S — CID 143104363

IUPAC1-[[ethylsulfanyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
SMILESCCSN(C)CC1(NC)CCCCC1
InChIInChI=1S/C11H24N2S/c1-4-14-13(3)10-11(12-2)8-6-5-7-9-11/h12H,4-10H2,1-3H3
InChIKeyWNIXWHYBNUGBSF-UHFFFAOYSA-N
MW216.39 g/mol
LogP2.51
Rot. Bonds5

About 1-[[ethylsulfanyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine

1-[[ethylsulfanyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine (PubChem CID 143104363) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 1-[[ethylsulfanyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[ethylsulfanyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
PubChem CID143104363
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name1-[[ethylsulfanyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
SMILESCCSN(C)CC1(NC)CCCCC1
InChIInChI=1S/C11H24N2S/c1-4-14-13(3)10-11(12-2)8-6-5-7-9-11/h12H,4-10H2,1-3H3
InChIKeyWNIXWHYBNUGBSF-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[ethylsulfanyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 1-[[ethylsulfanyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine (CID 143104363) is 1-[[ethylsulfanyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[[ethylsulfanyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-[[ethylsulfanyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine is CCSN(C)CC1(NC)CCCCC1.
What is the InChIKey of 1-[[ethylsulfanyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine?
The InChIKey is WNIXWHYBNUGBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-4-14-13(3)10-11(12-2)8-6-5-7-9-11/h12H,4-10H2,1-3H3.
What are the key properties of 1-[[ethylsulfanyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine?
1-[[ethylsulfanyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine has a molecular weight of 216.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethylsulfanyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 143104363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).