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

C12H27NO — CID 107896506

IUPAC2-ethoxy-N-ethyl-4-methylheptan-3-amine
SMILESCCCC(C)C(NCC)C(C)OCC
InChIInChI=1S/C12H27NO/c1-6-9-10(4)12(13-7-2)11(5)14-8-3/h10-13H,6-9H2,1-5H3
InChIKeyFZEHUMUDWCJGFO-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds8

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

2-ethoxy-N-ethyl-4-methylheptan-3-amine (PubChem CID 107896506) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-4-methylheptan-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-4-methylheptan-3-amine
PubChem CID107896506
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-ethoxy-N-ethyl-4-methylheptan-3-amine
SMILESCCCC(C)C(NCC)C(C)OCC
InChIInChI=1S/C12H27NO/c1-6-9-10(4)12(13-7-2)11(5)14-8-3/h10-13H,6-9H2,1-5H3
InChIKeyFZEHUMUDWCJGFO-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

1,1-diethoxy-N-ethyl-3-methylhexan-2-amine
CID 107896716
2-ethoxy-4-methyl-N-propylpentan-3-amine
CID 64535427
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
(3-ethoxy-2,5-dimethyloctan-4-yl)hydrazine
CID 107895343
N-ethyl-3,5-dimethylheptan-4-amine
CID 79446924
2-ethoxy-N-ethylundecan-3-amine
CID 64535007
1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine
CID 114013848
4-ethoxy-N-ethyl-2-methylhexan-3-amine
CID 116716931
2-ethoxy-N-methylhexan-3-amine
CID 64534795
1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine
CID 107896952
1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine
CID 114013601
1-bromo-2-ethoxy-3-methylhexane
CID 131861603

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-4-methylheptan-3-amine?
The IUPAC name of 2-ethoxy-N-ethyl-4-methylheptan-3-amine (CID 107896506) is 2-ethoxy-N-ethyl-4-methylheptan-3-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-4-methylheptan-3-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-4-methylheptan-3-amine is CCCC(C)C(NCC)C(C)OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-4-methylheptan-3-amine?
The InChIKey is FZEHUMUDWCJGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-9-10(4)12(13-7-2)11(5)14-8-3/h10-13H,6-9H2,1-5H3.
What are the key properties of 2-ethoxy-N-ethyl-4-methylheptan-3-amine?
2-ethoxy-N-ethyl-4-methylheptan-3-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-4-methylheptan-3-amine is sourced from PubChem (CID 107896506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).