4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine

C15H31NO2 — CID 43184301

IUPAC4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine
SMILESCC(C)OCCOC1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C15H31NO2/c1-11(2)17-8-9-18-14-10-12(15(3,4)5)6-7-13(14)16/h11-14H,6-10,16H2,1-5H3
InChIKeyWYUDCEHSZBKDDS-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.97
Rot. Bonds5

About 4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine

4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine (PubChem CID 43184301) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine
PubChem CID43184301
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine
SMILESCC(C)OCCOC1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C15H31NO2/c1-11(2)17-8-9-18-14-10-12(15(3,4)5)6-7-13(14)16/h11-14H,6-10,16H2,1-5H3
InChIKeyWYUDCEHSZBKDDS-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.97
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-propan-2-yloxyethoxy)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine (CID 43184301) is 4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine is CC(C)OCCOC1CC(C(C)(C)C)CCC1N.
What is the InChIKey of 4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine?
The InChIKey is WYUDCEHSZBKDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-11(2)17-8-9-18-14-10-12(15(3,4)5)6-7-13(14)16/h11-14H,6-10,16H2,1-5H3.
What are the key properties of 4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine?
4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.97, 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-propan-2-yloxyethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43184301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).