1-ethoxy-8,8-dimethylnonan-4-amine

C13H29NO — CID 138394341

IUPAC1-ethoxy-8,8-dimethylnonan-4-amine
SMILESCCOCCCC(N)CCCC(C)(C)C
InChIInChI=1S/C13H29NO/c1-5-15-11-7-9-12(14)8-6-10-13(2,3)4/h12H,5-11,14H2,1-4H3
InChIKeyLOLRTUMAKGBOEA-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.35
Rot. Bonds8

About 1-ethoxy-8,8-dimethylnonan-4-amine

1-ethoxy-8,8-dimethylnonan-4-amine (PubChem CID 138394341) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-ethoxy-8,8-dimethylnonan-4-amine.

Molecular Properties

Compound Name1-ethoxy-8,8-dimethylnonan-4-amine
PubChem CID138394341
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name1-ethoxy-8,8-dimethylnonan-4-amine
SMILESCCOCCCC(N)CCCC(C)(C)C
InChIInChI=1S/C13H29NO/c1-5-15-11-7-9-12(14)8-6-10-13(2,3)4/h12H,5-11,14H2,1-4H3
InChIKeyLOLRTUMAKGBOEA-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-8,8-dimethylnonan-4-amine?
The IUPAC name of 1-ethoxy-8,8-dimethylnonan-4-amine (CID 138394341) is 1-ethoxy-8,8-dimethylnonan-4-amine.
What is the SMILES notation for 1-ethoxy-8,8-dimethylnonan-4-amine?
The canonical SMILES for 1-ethoxy-8,8-dimethylnonan-4-amine is CCOCCCC(N)CCCC(C)(C)C.
What is the InChIKey of 1-ethoxy-8,8-dimethylnonan-4-amine?
The InChIKey is LOLRTUMAKGBOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-15-11-7-9-12(14)8-6-10-13(2,3)4/h12H,5-11,14H2,1-4H3.
What are the key properties of 1-ethoxy-8,8-dimethylnonan-4-amine?
1-ethoxy-8,8-dimethylnonan-4-amine has a molecular weight of 215.38 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-8,8-dimethylnonan-4-amine is sourced from PubChem (CID 138394341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).