4-tert-butyl-2-(2-methoxyethylsulfanyl)-N-methylcyclohexan-1-amine

C14H29NOS — CID 64609929

IUPAC4-tert-butyl-2-(2-methoxyethylsulfanyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1SCCOC
InChIInChI=1S/C14H29NOS/c1-14(2,3)11-6-7-12(15-4)13(10-11)17-9-8-16-5/h11-13,15H,6-10H2,1-5H3
InChIKeyBXSUJEHJMIASJR-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.17
Rot. Bonds5

About 4-tert-butyl-2-(2-methoxyethylsulfanyl)-N-methylcyclohexan-1-amine

4-tert-butyl-2-(2-methoxyethylsulfanyl)-N-methylcyclohexan-1-amine (PubChem CID 64609929) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-methoxyethylsulfanyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(2-methoxyethylsulfanyl)-N-methylcyclohexan-1-amine
PubChem CID64609929
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name4-tert-butyl-2-(2-methoxyethylsulfanyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1SCCOC
InChIInChI=1S/C14H29NOS/c1-14(2,3)11-6-7-12(15-4)13(10-11)17-9-8-16-5/h11-13,15H,6-10H2,1-5H3
InChIKeyBXSUJEHJMIASJR-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-methoxyethylsulfanyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(2-methoxyethylsulfanyl)-N-methylcyclohexan-1-amine (CID 64609929) is 4-tert-butyl-2-(2-methoxyethylsulfanyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(2-methoxyethylsulfanyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(2-methoxyethylsulfanyl)-N-methylcyclohexan-1-amine is CNC1CCC(C(C)(C)C)CC1SCCOC.
What is the InChIKey of 4-tert-butyl-2-(2-methoxyethylsulfanyl)-N-methylcyclohexan-1-amine?
The InChIKey is BXSUJEHJMIASJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-14(2,3)11-6-7-12(15-4)13(10-11)17-9-8-16-5/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 4-tert-butyl-2-(2-methoxyethylsulfanyl)-N-methylcyclohexan-1-amine?
4-tert-butyl-2-(2-methoxyethylsulfanyl)-N-methylcyclohexan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-methoxyethylsulfanyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 64609929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).