(1E,3E)-5-methoxy-N,N,N',N'-tetramethylpenta-1,3-diene-1,5-diamine

C10H20N2O — CID 13086959

IUPAC(1E,3E)-5-methoxy-N,N,N',N'-tetramethylpenta-1,3-diene-1,5-diamine
SMILESCOC(/C=C/C=C/N(C)C)N(C)C
InChIInChI=1S/C10H20N2O/c1-11(2)9-7-6-8-10(13-5)12(3)4/h6-10H,1-5H3/b8-6+,9-7+
InChIKeySQNSENURRFAGBG-CDJQDVQCSA-N
MW184.28 g/mol
LogP1.15
Rot. Bonds5

About (1E,3E)-5-methoxy-N,N,N',N'-tetramethylpenta-1,3-diene-1,5-diamine

(1E,3E)-5-methoxy-N,N,N',N'-tetramethylpenta-1,3-diene-1,5-diamine (PubChem CID 13086959) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (1E,3E)-5-methoxy-N,N,N',N'-tetramethylpenta-1,3-diene-1,5-diamine.

Molecular Properties

Compound Name(1E,3E)-5-methoxy-N,N,N',N'-tetramethylpenta-1,3-diene-1,5-diamine
PubChem CID13086959
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(1E,3E)-5-methoxy-N,N,N',N'-tetramethylpenta-1,3-diene-1,5-diamine
SMILESCOC(/C=C/C=C/N(C)C)N(C)C
InChIInChI=1S/C10H20N2O/c1-11(2)9-7-6-8-10(13-5)12(3)4/h6-10H,1-5H3/b8-6+,9-7+
InChIKeySQNSENURRFAGBG-CDJQDVQCSA-N
XLogP1.15
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.15
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-5-methoxy-N,N,N',N'-tetramethylpenta-1,3-diene-1,5-diamine?
The IUPAC name of (1E,3E)-5-methoxy-N,N,N',N'-tetramethylpenta-1,3-diene-1,5-diamine (CID 13086959) is (1E,3E)-5-methoxy-N,N,N',N'-tetramethylpenta-1,3-diene-1,5-diamine.
What is the SMILES notation for (1E,3E)-5-methoxy-N,N,N',N'-tetramethylpenta-1,3-diene-1,5-diamine?
The canonical SMILES for (1E,3E)-5-methoxy-N,N,N',N'-tetramethylpenta-1,3-diene-1,5-diamine is COC(/C=C/C=C/N(C)C)N(C)C.
What is the InChIKey of (1E,3E)-5-methoxy-N,N,N',N'-tetramethylpenta-1,3-diene-1,5-diamine?
The InChIKey is SQNSENURRFAGBG-CDJQDVQCSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11(2)9-7-6-8-10(13-5)12(3)4/h6-10H,1-5H3/b8-6+,9-7+.
What are the key properties of (1E,3E)-5-methoxy-N,N,N',N'-tetramethylpenta-1,3-diene-1,5-diamine?
(1E,3E)-5-methoxy-N,N,N',N'-tetramethylpenta-1,3-diene-1,5-diamine has a molecular weight of 184.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-5-methoxy-N,N,N',N'-tetramethylpenta-1,3-diene-1,5-diamine is sourced from PubChem (CID 13086959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).