(E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine

C14H27NO4 — CID 11108516

IUPAC(E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine
SMILESCOC(/C=C(\C)CNC/C(C)=C/C(OC)OC)OC
InChIInChI=1S/C14H27NO4/c1-11(7-13(16-3)17-4)9-15-10-12(2)8-14(18-5)19-6/h7-8,13-15H,9-10H2,1-6H3/b11-7+,12-8+
InChIKeyIADHTUWCPGJYNC-MKICQXMISA-N
MW273.37 g/mol
LogP1.71
Rot. Bonds10

About (E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine

(E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine (PubChem CID 11108516) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is (E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine
PubChem CID11108516
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name(E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine
SMILESCOC(/C=C(\C)CNC/C(C)=C/C(OC)OC)OC
InChIInChI=1S/C14H27NO4/c1-11(7-13(16-3)17-4)9-15-10-12(2)8-14(18-5)19-6/h7-8,13-15H,9-10H2,1-6H3/b11-7+,12-8+
InChIKeyIADHTUWCPGJYNC-MKICQXMISA-N
XLogP1.71
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-1,1-dimethoxy-3-methylhept-2-ene
CID 13244487
(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
CID 5352435
N-ethyl-5-methoxy-2,4-dimethylpent-2-en-1-amine
CID 104881853
[(E)-4-chloro-1-methoxy-3-methylbut-2-enyl] acetate
CID 88810997
2,4-dimethyl-N-(2-methylpropyl)pent-2-en-1-amine
CID 79341169
5,5-dimethoxy-3-methylpent-3-en-2-one
CID 154128160
(E)-4,4-dimethoxy-2-methylbut-2-enoic acid
CID 87276147
(2E,4E,6E)-8-chloro-1,1-dimethoxy-3,7-dimethylocta-2,4,6-triene
CID 10878980
(E)-2,4-dimethyl-N-propylhex-2-en-1-amine
CID 79340919
(3Z)-3-(2,2-dimethoxyethylidene)heptan-2-one
CID 87458254
(3S,4S,5R,6Z)-3-methoxy-5,7-dimethyl-8-(pyrimidin-2-ylmethylamino)octa-1,6-dien-4-ol
CID 144515489
(E)-3-ethyl-1,1-dimethoxyhept-2-ene
CID 11052356

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine?
The IUPAC name of (E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine (CID 11108516) is (E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine.
What is the SMILES notation for (E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine?
The canonical SMILES for (E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine is COC(/C=C(\C)CNC/C(C)=C/C(OC)OC)OC.
What is the InChIKey of (E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine?
The InChIKey is IADHTUWCPGJYNC-MKICQXMISA-N. The full InChI is InChI=1S/C14H27NO4/c1-11(7-13(16-3)17-4)9-15-10-12(2)8-14(18-5)19-6/h7-8,13-15H,9-10H2,1-6H3/b11-7+,12-8+.
What are the key properties of (E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine?
(E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine has a molecular weight of 273.37 g/mol, XLogP of 1.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine is sourced from PubChem (CID 11108516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).