4-ethoxy-N-ethyl-2-methylhexan-3-amine

C11H25NO — CID 116716931

IUPAC4-ethoxy-N-ethyl-2-methylhexan-3-amine
SMILESCCNC(C(C)C)C(CC)OCC
InChIInChI=1S/C11H25NO/c1-6-10(13-8-3)11(9(4)5)12-7-2/h9-12H,6-8H2,1-5H3
InChIKeyMBXMYCBCAWAAAO-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds7

About 4-ethoxy-N-ethyl-2-methylhexan-3-amine

4-ethoxy-N-ethyl-2-methylhexan-3-amine (PubChem CID 116716931) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-2-methylhexan-3-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-2-methylhexan-3-amine
PubChem CID116716931
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name4-ethoxy-N-ethyl-2-methylhexan-3-amine
SMILESCCNC(C(C)C)C(CC)OCC
InChIInChI=1S/C11H25NO/c1-6-10(13-8-3)11(9(4)5)12-7-2/h9-12H,6-8H2,1-5H3
InChIKeyMBXMYCBCAWAAAO-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-5-methyl-N-propylheptan-4-amine
CID 116717268
(3-ethoxy-5-methylheptan-4-yl)hydrazine
CID 105271139
N-ethyl-3-methoxy-5-methylheptan-4-amine
CID 116715826
N-ethyl-3,5-dimethylheptan-4-amine
CID 79446924
3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine
CID 114284898
3-ethoxy-N-ethylundecan-4-amine
CID 116716862
2-ethoxy-N-ethyl-4-methylheptan-3-amine
CID 107896506
N,3-diethyl-5-methoxyheptan-4-amine
CID 116715851
1,1-diethoxy-N-ethyl-3-methylhexan-2-amine
CID 107896716
1-cycloheptyl-2-ethoxy-N-ethylbutan-1-amine
CID 116717006
2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine
CID 116716895
1-cyclohexyl-3-ethoxy-N-ethylpentan-2-amine
CID 116717017

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-2-methylhexan-3-amine?
The IUPAC name of 4-ethoxy-N-ethyl-2-methylhexan-3-amine (CID 116716931) is 4-ethoxy-N-ethyl-2-methylhexan-3-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-2-methylhexan-3-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-2-methylhexan-3-amine is CCNC(C(C)C)C(CC)OCC.
What is the InChIKey of 4-ethoxy-N-ethyl-2-methylhexan-3-amine?
The InChIKey is MBXMYCBCAWAAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-10(13-8-3)11(9(4)5)12-7-2/h9-12H,6-8H2,1-5H3.
What are the key properties of 4-ethoxy-N-ethyl-2-methylhexan-3-amine?
4-ethoxy-N-ethyl-2-methylhexan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-2-methylhexan-3-amine is sourced from PubChem (CID 116716931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).