4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine

C12H27NO — CID 160537822

IUPAC4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine
SMILESCCOCCC(C)(C)CN(CC)CC
InChIInChI=1S/C12H27NO/c1-6-13(7-2)11-12(4,5)9-10-14-8-3/h6-11H2,1-5H3
InChIKeyPIIALWUYYGPAOD-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.78
Rot. Bonds8

About 4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine

4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine (PubChem CID 160537822) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine
PubChem CID160537822
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine
SMILESCCOCCC(C)(C)CN(CC)CC
InChIInChI=1S/C12H27NO/c1-6-13(7-2)11-12(4,5)9-10-14-8-3/h6-11H2,1-5H3
InChIKeyPIIALWUYYGPAOD-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N,N-diethyl-2,2-dimethylbutan-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

N,N-diethyl-2,2-dimethylpentan-1-amine
CID 91350925
N-(2-ethoxyethyl)-N,N'-diethyl-2,2-dimethylpropane-1,3-diamine
CID 63692665
N-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 55226146
4-ethoxy-1-methoxy-2,2-dimethylbutane
CID 102175651
4-(2-ethoxyethoxy)-2,2-dimethylbutan-1-amine
CID 65249201
N,N-diethyl-3-methoxy-2,2-dimethylpropan-1-amine
CID 139968907
4-ethoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62725159
1,5-diethoxy-3-methylpentan-3-amine
CID 91552736
4-ethoxy-2-methylbutane-2-thiol
CID 11643948
N-(2-ethoxyethyl)-N-ethyl-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 80550358
1-ethoxy-4,4-dimethylhexane
CID 89037329
1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine
CID 66453452

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine (CID 160537822) is 4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine is CCOCCC(C)(C)CN(CC)CC.
What is the InChIKey of 4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine?
The InChIKey is PIIALWUYYGPAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-13(7-2)11-12(4,5)9-10-14-8-3/h6-11H2,1-5H3.
What are the key properties of 4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine?
4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 160537822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).