4-ethoxy-2,4-dimethylpent-1-en-3-amine

C9H19NO — CID 116726146

IUPAC4-ethoxy-2,4-dimethylpent-1-en-3-amine
SMILESC=C(C)C(N)C(C)(C)OCC
InChIInChI=1S/C9H19NO/c1-6-11-9(4,5)8(10)7(2)3/h8H,2,6,10H2,1,3-5H3
InChIKeySKXGZBDBWSERTR-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds4

About 4-ethoxy-2,4-dimethylpent-1-en-3-amine

4-ethoxy-2,4-dimethylpent-1-en-3-amine (PubChem CID 116726146) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-ethoxy-2,4-dimethylpent-1-en-3-amine.

Molecular Properties

Compound Name4-ethoxy-2,4-dimethylpent-1-en-3-amine
PubChem CID116726146
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-ethoxy-2,4-dimethylpent-1-en-3-amine
SMILESC=C(C)C(N)C(C)(C)OCC
InChIInChI=1S/C9H19NO/c1-6-11-9(4,5)8(10)7(2)3/h8H,2,6,10H2,1,3-5H3
InChIKeySKXGZBDBWSERTR-UHFFFAOYSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.70
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 4-ethoxy-2,4-dimethylpent-1-en-3-amine?
The IUPAC name of 4-ethoxy-2,4-dimethylpent-1-en-3-amine (CID 116726146) is 4-ethoxy-2,4-dimethylpent-1-en-3-amine.
What is the SMILES notation for 4-ethoxy-2,4-dimethylpent-1-en-3-amine?
The canonical SMILES for 4-ethoxy-2,4-dimethylpent-1-en-3-amine is C=C(C)C(N)C(C)(C)OCC.
What is the InChIKey of 4-ethoxy-2,4-dimethylpent-1-en-3-amine?
The InChIKey is SKXGZBDBWSERTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-11-9(4,5)8(10)7(2)3/h8H,2,6,10H2,1,3-5H3.
What are the key properties of 4-ethoxy-2,4-dimethylpent-1-en-3-amine?
4-ethoxy-2,4-dimethylpent-1-en-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,4-dimethylpent-1-en-3-amine is sourced from PubChem (CID 116726146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).