3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine

C13H29NO — CID 116725378

IUPAC3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine
SMILESCCOC(C(N)C(CC)CC)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-7-10(8-2)11(14)12(15-9-3)13(4,5)6/h10-12H,7-9,14H2,1-6H3
InChIKeyJAFGIRJHRVVZSZ-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.20
Rot. Bonds6

About 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine

3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine (PubChem CID 116725378) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine.

Molecular Properties

Compound Name3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine
PubChem CID116725378
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine
SMILESCCOC(C(N)C(CC)CC)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-7-10(8-2)11(14)12(15-9-3)13(4,5)6/h10-12H,7-9,14H2,1-6H3
InChIKeyJAFGIRJHRVVZSZ-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine?
The IUPAC name of 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine (CID 116725378) is 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine.
What is the SMILES notation for 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine?
The canonical SMILES for 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine is CCOC(C(N)C(CC)CC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine?
The InChIKey is JAFGIRJHRVVZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-10(8-2)11(14)12(15-9-3)13(4,5)6/h10-12H,7-9,14H2,1-6H3.
What are the key properties of 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine?
3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine has a molecular weight of 215.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine is sourced from PubChem (CID 116725378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).