4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine

C17H35NO2 — CID 63686191

IUPAC4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine
SMILESCCCOCCOC1CC(C(C)(C)C)CCC1NCC
InChIInChI=1S/C17H35NO2/c1-6-10-19-11-12-20-16-13-14(17(3,4)5)8-9-15(16)18-7-2/h14-16,18H,6-13H2,1-5H3
InChIKeyLXESKRPCTNMGNK-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.62
Rot. Bonds8

About 4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine

4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine (PubChem CID 63686191) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine
PubChem CID63686191
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine
SMILESCCCOCCOC1CC(C(C)(C)C)CCC1NCC
InChIInChI=1S/C17H35NO2/c1-6-10-19-11-12-20-16-13-14(17(3,4)5)8-9-15(16)18-7-2/h14-16,18H,6-13H2,1-5H3
InChIKeyLXESKRPCTNMGNK-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine
CID 63473832
4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine
CID 63474740
2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine
CID 114157425
4-tert-butyl-N-ethyl-2-phenoxycyclohexan-1-amine
CID 63474712
4-tert-butyl-N-ethyl-2-(4-methylphenoxy)cyclohexan-1-amine
CID 63474008
N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine
CID 104560797
4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine
CID 63475772
2-(2-propoxyethoxy)-N-propylcycloheptan-1-amine
CID 55233054
4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine
CID 63483579
N-ethyl-3-(2-propoxyethoxy)cyclobutan-1-amine
CID 66352909
4-tert-butyl-N-ethyl-2-[[ethyl(2-methoxyethyl)amino]methyl]cyclohexan-1-amine
CID 62610178
3-(2-propoxyethoxy)-N-propyloxan-4-amine
CID 55234053

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine (CID 63686191) is 4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine is CCCOCCOC1CC(C(C)(C)C)CCC1NCC.
What is the InChIKey of 4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine?
The InChIKey is LXESKRPCTNMGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-6-10-19-11-12-20-16-13-14(17(3,4)5)8-9-15(16)18-7-2/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine?
4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine is sourced from PubChem (CID 63686191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).