4-tert-butyl-2-(3-methoxypropoxy)cyclohexan-1-amine

C14H29NO2 — CID 54936675

IUPAC4-tert-butyl-2-(3-methoxypropoxy)cyclohexan-1-amine
SMILESCOCCCOC1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C14H29NO2/c1-14(2,3)11-6-7-12(15)13(10-11)17-9-5-8-16-4/h11-13H,5-10,15H2,1-4H3
InChIKeyUXZULSUUXHHUSH-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.58
Rot. Bonds5

About 4-tert-butyl-2-(3-methoxypropoxy)cyclohexan-1-amine

4-tert-butyl-2-(3-methoxypropoxy)cyclohexan-1-amine (PubChem CID 54936675) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-methoxypropoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(3-methoxypropoxy)cyclohexan-1-amine
PubChem CID54936675
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4-tert-butyl-2-(3-methoxypropoxy)cyclohexan-1-amine
SMILESCOCCCOC1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C14H29NO2/c1-14(2,3)11-6-7-12(15)13(10-11)17-9-5-8-16-4/h11-13H,5-10,15H2,1-4H3
InChIKeyUXZULSUUXHHUSH-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.58
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-(3-methoxypropoxy)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(3-methoxypropoxy)cyclohexan-1-amine (CID 54936675) is 4-tert-butyl-2-(3-methoxypropoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(3-methoxypropoxy)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(3-methoxypropoxy)cyclohexan-1-amine is COCCCOC1CC(C(C)(C)C)CCC1N.
What is the InChIKey of 4-tert-butyl-2-(3-methoxypropoxy)cyclohexan-1-amine?
The InChIKey is UXZULSUUXHHUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-14(2,3)11-6-7-12(15)13(10-11)17-9-5-8-16-4/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(3-methoxypropoxy)cyclohexan-1-amine?
4-tert-butyl-2-(3-methoxypropoxy)cyclohexan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.58, 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-(3-methoxypropoxy)cyclohexan-1-amine is sourced from PubChem (CID 54936675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).