N-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine

C14H31NO2 — CID 114228714

IUPACN-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine
SMILESCCNC(COCC(CC)CC)C(C)(C)OC
InChIInChI=1S/C14H31NO2/c1-7-12(8-2)10-17-11-13(15-9-3)14(4,5)16-6/h12-13,15H,7-11H2,1-6H3
InChIKeyHCKYQGNAGFMYKQ-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.84
Rot. Bonds10

About N-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine

N-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine (PubChem CID 114228714) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine
PubChem CID114228714
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC NameN-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine
SMILESCCNC(COCC(CC)CC)C(C)(C)OC
InChIInChI=1S/C14H31NO2/c1-7-12(8-2)10-17-11-13(15-9-3)14(4,5)16-6/h12-13,15H,7-11H2,1-6H3
InChIKeyHCKYQGNAGFMYKQ-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine (CID 114228714) is N-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine is CCNC(COCC(CC)CC)C(C)(C)OC.
What is the InChIKey of N-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine?
The InChIKey is HCKYQGNAGFMYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-7-12(8-2)10-17-11-13(15-9-3)14(4,5)16-6/h12-13,15H,7-11H2,1-6H3.
What are the key properties of N-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine?
N-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 114228714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).