5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine

C13H27NO — CID 116759842

IUPAC5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine
SMILESC=C(C)CC(NC)C(CC)(CC)OCC
InChIInChI=1S/C13H27NO/c1-7-13(8-2,15-9-3)12(14-6)10-11(4)5/h12,14H,4,7-10H2,1-3,5-6H3
InChIKeyKQIWONJLJIKJTO-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds8

About 5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine

5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine (PubChem CID 116759842) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine.

Molecular Properties

Compound Name5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine
PubChem CID116759842
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine
SMILESC=C(C)CC(NC)C(CC)(CC)OCC
InChIInChI=1S/C13H27NO/c1-7-13(8-2,15-9-3)12(14-6)10-11(4)5/h12,14H,4,7-10H2,1-3,5-6H3
InChIKeyKQIWONJLJIKJTO-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine?
The IUPAC name of 5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine (CID 116759842) is 5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine.
What is the SMILES notation for 5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine?
The canonical SMILES for 5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine is C=C(C)CC(NC)C(CC)(CC)OCC.
What is the InChIKey of 5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine?
The InChIKey is KQIWONJLJIKJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-13(8-2,15-9-3)12(14-6)10-11(4)5/h12,14H,4,7-10H2,1-3,5-6H3.
What are the key properties of 5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine?
5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-5-ethyl-N,2-dimethylhept-1-en-4-amine is sourced from PubChem (CID 116759842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).