3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine

C14H31NO — CID 116759157

IUPAC3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine
SMILESCCNC(CC(C)CC)C(C)(CC)OCC
InChIInChI=1S/C14H31NO/c1-7-12(5)11-13(15-9-3)14(6,8-2)16-10-4/h12-13,15H,7-11H2,1-6H3
InChIKeyQHLBATGYNPAOEC-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds9

About 3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine

3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine (PubChem CID 116759157) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine
PubChem CID116759157
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine
SMILESCCNC(CC(C)CC)C(C)(CC)OCC
InChIInChI=1S/C14H31NO/c1-7-12(5)11-13(15-9-3)14(6,8-2)16-10-4/h12-13,15H,7-11H2,1-6H3
InChIKeyQHLBATGYNPAOEC-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethoxy-N-ethyl-3,6-dimethyloctan-4-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-ethyl-3,3,6-trimethyloctan-4-amine
CID 115846245
5-ethoxy-N-ethyl-5-methylhept-1-en-4-amine
CID 116758987
5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine
CID 116759105
3-ethoxy-N-ethyl-3-methyl-1-(4-methylphenyl)pentan-2-amine
CID 116759088
4-ethoxy-N-ethyl-4-methylhex-1-en-3-amine
CID 116759022
1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine
CID 116759063
3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine
CID 116759095
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine
CID 116759011
4-[3-ethoxy-2-(ethylamino)-3-methylpentyl]pyridin-2-amine
CID 116759232
N-ethyl-3,6-dimethyloctan-4-amine
CID 63717606
2-ethoxy-2,5-dimethylheptan-3-ol
CID 116713772
3-methoxy-3,6-dimethyl-N-propylnonan-4-amine
CID 116758239

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine?
The IUPAC name of 3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine (CID 116759157) is 3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine is CCNC(CC(C)CC)C(C)(CC)OCC.
What is the InChIKey of 3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine?
The InChIKey is QHLBATGYNPAOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-7-12(5)11-13(15-9-3)14(6,8-2)16-10-4/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine?
3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-3,6-dimethyloctan-4-amine is sourced from PubChem (CID 116759157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).