4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine

C12H27NO — CID 116725718

IUPAC4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
SMILESCCNC(CC)C(OCC)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-7-10(13-8-2)11(14-9-3)12(4,5)6/h10-11,13H,7-9H2,1-6H3
InChIKeyOMKFCBWJOXDXSZ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds6

About 4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine

4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine (PubChem CID 116725718) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
PubChem CID116725718
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
SMILESCCNC(CC)C(OCC)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-7-10(13-8-2)11(14-9-3)12(4,5)6/h10-11,13H,7-9H2,1-6H3
InChIKeyOMKFCBWJOXDXSZ-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine
CID 116725715
1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725824
5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine
CID 116725749
3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine
CID 116725818
3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine
CID 116725712
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725779
4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine
CID 116725722
4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine
CID 116725711
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine
CID 116725841
4-ethoxy-N-ethyl-5,5-dimethyl-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530763
1-cyclobutyl-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
CID 116725873
1-(5-bromo-2-fluorophenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725728

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine?
The IUPAC name of 4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine (CID 116725718) is 4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine is CCNC(CC)C(OCC)C(C)(C)C.
What is the InChIKey of 4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine?
The InChIKey is OMKFCBWJOXDXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-7-10(13-8-2)11(14-9-3)12(4,5)6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine?
4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine is sourced from PubChem (CID 116725718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).