(E)-2-(4-methylcyclohexyl)-N-methylsulfanylethanimine

C10H19NS — CID 142306611

IUPAC(E)-2-(4-methylcyclohexyl)-N-methylsulfanylethanimine
SMILESCS/N=C/CC1CCC(C)CC1
InChIInChI=1S/C10H19NS/c1-9-3-5-10(6-4-9)7-8-11-12-2/h8-10H,3-7H2,1-2H3/b11-8+
InChIKeyXVGABJSBCWBERX-DHZHZOJOSA-N
MW185.34 g/mol
LogP3.55
Rot. Bonds3

About (E)-2-(4-methylcyclohexyl)-N-methylsulfanylethanimine

(E)-2-(4-methylcyclohexyl)-N-methylsulfanylethanimine (PubChem CID 142306611) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (E)-2-(4-methylcyclohexyl)-N-methylsulfanylethanimine.

Molecular Properties

Compound Name(E)-2-(4-methylcyclohexyl)-N-methylsulfanylethanimine
PubChem CID142306611
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(E)-2-(4-methylcyclohexyl)-N-methylsulfanylethanimine
SMILESCS/N=C/CC1CCC(C)CC1
InChIInChI=1S/C10H19NS/c1-9-3-5-10(6-4-9)7-8-11-12-2/h8-10H,3-7H2,1-2H3/b11-8+
InChIKeyXVGABJSBCWBERX-DHZHZOJOSA-N
XLogP3.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 59448677
CID 59448677
2-cyclopropyl-N-methylethanimine
CID 58923467
1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane
CID 20734074
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane
CID 20714863
CID 20632302
CID 20632302
1-(fluoromethyl)-4-methylcyclohexane
CID 20579841
2-(4-methylcyclooctyl)ethanimine
CID 155110970
(Z)-2-(methylamino)-4-(4-methylcyclohexyl)but-2-enal
CID 163767323
(2S)-1-(4-methylcyclohexyl)propan-2-amine
CID 163792436

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylcyclohexyl)-N-methylsulfanylethanimine?
The IUPAC name of (E)-2-(4-methylcyclohexyl)-N-methylsulfanylethanimine (CID 142306611) is (E)-2-(4-methylcyclohexyl)-N-methylsulfanylethanimine.
What is the SMILES notation for (E)-2-(4-methylcyclohexyl)-N-methylsulfanylethanimine?
The canonical SMILES for (E)-2-(4-methylcyclohexyl)-N-methylsulfanylethanimine is CS/N=C/CC1CCC(C)CC1.
What is the InChIKey of (E)-2-(4-methylcyclohexyl)-N-methylsulfanylethanimine?
The InChIKey is XVGABJSBCWBERX-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NS/c1-9-3-5-10(6-4-9)7-8-11-12-2/h8-10H,3-7H2,1-2H3/b11-8+.
What are the key properties of (E)-2-(4-methylcyclohexyl)-N-methylsulfanylethanimine?
(E)-2-(4-methylcyclohexyl)-N-methylsulfanylethanimine has a molecular weight of 185.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylcyclohexyl)-N-methylsulfanylethanimine is sourced from PubChem (CID 142306611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).