4-ethyl-4-propoxyheptan-2-amine

C12H27NO — CID 89207360

IUPAC4-ethyl-4-propoxyheptan-2-amine
SMILESCCCOC(CC)(CCC)CC(C)N
InChIInChI=1S/C12H27NO/c1-5-8-12(7-3,10-11(4)13)14-9-6-2/h11H,5-10,13H2,1-4H3
InChIKeyQYSAOJJGRXTVAD-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.10
Rot. Bonds8

About 4-ethyl-4-propoxyheptan-2-amine

4-ethyl-4-propoxyheptan-2-amine (PubChem CID 89207360) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-ethyl-4-propoxyheptan-2-amine.

Molecular Properties

Compound Name4-ethyl-4-propoxyheptan-2-amine
PubChem CID89207360
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-ethyl-4-propoxyheptan-2-amine
SMILESCCCOC(CC)(CCC)CC(C)N
InChIInChI=1S/C12H27NO/c1-5-8-12(7-3,10-11(4)13)14-9-6-2/h11H,5-10,13H2,1-4H3
InChIKeyQYSAOJJGRXTVAD-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-propoxyheptan-2-amine?
The IUPAC name of 4-ethyl-4-propoxyheptan-2-amine (CID 89207360) is 4-ethyl-4-propoxyheptan-2-amine.
What is the SMILES notation for 4-ethyl-4-propoxyheptan-2-amine?
The canonical SMILES for 4-ethyl-4-propoxyheptan-2-amine is CCCOC(CC)(CCC)CC(C)N.
What is the InChIKey of 4-ethyl-4-propoxyheptan-2-amine?
The InChIKey is QYSAOJJGRXTVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-8-12(7-3,10-11(4)13)14-9-6-2/h11H,5-10,13H2,1-4H3.
What are the key properties of 4-ethyl-4-propoxyheptan-2-amine?
4-ethyl-4-propoxyheptan-2-amine has a molecular weight of 201.35 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-propoxyheptan-2-amine is sourced from PubChem (CID 89207360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).