(E)-4,4-dimethoxy-N,N,2-trimethylbut-2-en-1-amine

C9H19NO2 — CID 10866814

IUPAC(E)-4,4-dimethoxy-N,N,2-trimethylbut-2-en-1-amine
SMILESCOC(/C=C(\C)CN(C)C)OC
InChIInChI=1S/C9H19NO2/c1-8(7-10(2)3)6-9(11-4)12-5/h6,9H,7H2,1-5H3/b8-6+
InChIKeyLCQRBKYYGHPPEH-SOFGYWHQSA-N
MW173.26 g/mol
LogP1.11
Rot. Bonds5

About (E)-4,4-dimethoxy-N,N,2-trimethylbut-2-en-1-amine

(E)-4,4-dimethoxy-N,N,2-trimethylbut-2-en-1-amine (PubChem CID 10866814) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (E)-4,4-dimethoxy-N,N,2-trimethylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4,4-dimethoxy-N,N,2-trimethylbut-2-en-1-amine
PubChem CID10866814
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(E)-4,4-dimethoxy-N,N,2-trimethylbut-2-en-1-amine
SMILESCOC(/C=C(\C)CN(C)C)OC
InChIInChI=1S/C9H19NO2/c1-8(7-10(2)3)6-9(11-4)12-5/h6,9H,7H2,1-5H3/b8-6+
InChIKeyLCQRBKYYGHPPEH-SOFGYWHQSA-N
XLogP1.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4-dimethoxy-N,N,2-trimethylbut-2-en-1-amine?
The IUPAC name of (E)-4,4-dimethoxy-N,N,2-trimethylbut-2-en-1-amine (CID 10866814) is (E)-4,4-dimethoxy-N,N,2-trimethylbut-2-en-1-amine.
What is the SMILES notation for (E)-4,4-dimethoxy-N,N,2-trimethylbut-2-en-1-amine?
The canonical SMILES for (E)-4,4-dimethoxy-N,N,2-trimethylbut-2-en-1-amine is COC(/C=C(\C)CN(C)C)OC.
What is the InChIKey of (E)-4,4-dimethoxy-N,N,2-trimethylbut-2-en-1-amine?
The InChIKey is LCQRBKYYGHPPEH-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(7-10(2)3)6-9(11-4)12-5/h6,9H,7H2,1-5H3/b8-6+.
What are the key properties of (E)-4,4-dimethoxy-N,N,2-trimethylbut-2-en-1-amine?
(E)-4,4-dimethoxy-N,N,2-trimethylbut-2-en-1-amine has a molecular weight of 173.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-dimethoxy-N,N,2-trimethylbut-2-en-1-amine is sourced from PubChem (CID 10866814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).