(E)-N,N-diethyl-4,4-dimethoxy-3-methylbut-2-en-1-amine

C11H23NO2 — CID 14658342

IUPAC(E)-N,N-diethyl-4,4-dimethoxy-3-methylbut-2-en-1-amine
SMILESCCN(CC)C/C=C(\C)C(OC)OC
InChIInChI=1S/C11H23NO2/c1-6-12(7-2)9-8-10(3)11(13-4)14-5/h8,11H,6-7,9H2,1-5H3/b10-8+
InChIKeyPTDCZNJKKZYCBJ-CSKARUKUSA-N
MW201.31 g/mol
LogP1.89
Rot. Bonds7

About (E)-N,N-diethyl-4,4-dimethoxy-3-methylbut-2-en-1-amine

(E)-N,N-diethyl-4,4-dimethoxy-3-methylbut-2-en-1-amine (PubChem CID 14658342) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (E)-N,N-diethyl-4,4-dimethoxy-3-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-4,4-dimethoxy-3-methylbut-2-en-1-amine
PubChem CID14658342
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(E)-N,N-diethyl-4,4-dimethoxy-3-methylbut-2-en-1-amine
SMILESCCN(CC)C/C=C(\C)C(OC)OC
InChIInChI=1S/C11H23NO2/c1-6-12(7-2)9-8-10(3)11(13-4)14-5/h8,11H,6-7,9H2,1-5H3/b10-8+
InChIKeyPTDCZNJKKZYCBJ-CSKARUKUSA-N
XLogP1.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.89
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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Related Compounds

(E)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine
CID 14658340
N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine
CID 53829354
N,N-diethyl-4,4-dimethoxy-3-methyl-2-butenylamine
CID 54206912
(E)-4,4-dimethoxy-N,N-bis(prop-2-enyl)but-2-en-1-amine
CID 10750987
(E)-4,4-dimethoxy-N,N,2-trimethylbut-2-en-1-amine
CID 10866814
(E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine
CID 11108516
(E)-3,3-dimethoxy-N,N,2-trimethylprop-1-en-1-amine
CID 12397169

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-4,4-dimethoxy-3-methylbut-2-en-1-amine?
The IUPAC name of (E)-N,N-diethyl-4,4-dimethoxy-3-methylbut-2-en-1-amine (CID 14658342) is (E)-N,N-diethyl-4,4-dimethoxy-3-methylbut-2-en-1-amine.
What is the SMILES notation for (E)-N,N-diethyl-4,4-dimethoxy-3-methylbut-2-en-1-amine?
The canonical SMILES for (E)-N,N-diethyl-4,4-dimethoxy-3-methylbut-2-en-1-amine is CCN(CC)C/C=C(\C)C(OC)OC.
What is the InChIKey of (E)-N,N-diethyl-4,4-dimethoxy-3-methylbut-2-en-1-amine?
The InChIKey is PTDCZNJKKZYCBJ-CSKARUKUSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-12(7-2)9-8-10(3)11(13-4)14-5/h8,11H,6-7,9H2,1-5H3/b10-8+.
What are the key properties of (E)-N,N-diethyl-4,4-dimethoxy-3-methylbut-2-en-1-amine?
(E)-N,N-diethyl-4,4-dimethoxy-3-methylbut-2-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-4,4-dimethoxy-3-methylbut-2-en-1-amine is sourced from PubChem (CID 14658342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).