4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine

C15H31NO — CID 104648365

IUPAC4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine
SMILESCOCCCCC1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C15H31NO/c1-15(2,3)13-8-9-14(16)12(11-13)7-5-6-10-17-4/h12-14H,5-11,16H2,1-4H3
InChIKeyFKUJDHOYTLIUTD-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.59
Rot. Bonds5

About 4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine

4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine (PubChem CID 104648365) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine
PubChem CID104648365
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine
SMILESCOCCCCC1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C15H31NO/c1-15(2,3)13-8-9-14(16)12(11-13)7-5-6-10-17-4/h12-14H,5-11,16H2,1-4H3
InChIKeyFKUJDHOYTLIUTD-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine (CID 104648365) is 4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine is COCCCCC1CC(C(C)(C)C)CCC1N.
What is the InChIKey of 4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine?
The InChIKey is FKUJDHOYTLIUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-15(2,3)13-8-9-14(16)12(11-13)7-5-6-10-17-4/h12-14H,5-11,16H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine?
4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-methoxybutyl)cyclohexan-1-amine is sourced from PubChem (CID 104648365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).