(1E,3Z)-1-methoxypenta-1,3-diene-1,4-diamine

C6H12N2O — CID 143260703

IUPAC(1E,3Z)-1-methoxypenta-1,3-diene-1,4-diamine
SMILESCO/C(N)=C/C=C(/C)N
InChIInChI=1S/C6H12N2O/c1-5(7)3-4-6(8)9-2/h3-4H,7-8H2,1-2H3/b5-3-,6-4+
InChIKeyJBMYEFYQRAHAIM-CIIODKQPSA-N
MW128.17 g/mol
LogP0.30
Rot. Bonds2

About (1E,3Z)-1-methoxypenta-1,3-diene-1,4-diamine

(1E,3Z)-1-methoxypenta-1,3-diene-1,4-diamine (PubChem CID 143260703) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (1E,3Z)-1-methoxypenta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-methoxypenta-1,3-diene-1,4-diamine
PubChem CID143260703
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(1E,3Z)-1-methoxypenta-1,3-diene-1,4-diamine
SMILESCO/C(N)=C/C=C(/C)N
InChIInChI=1S/C6H12N2O/c1-5(7)3-4-6(8)9-2/h3-4H,7-8H2,1-2H3/b5-3-,6-4+
InChIKeyJBMYEFYQRAHAIM-CIIODKQPSA-N
XLogP0.30
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-methoxypenta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-methoxypenta-1,3-diene-1,4-diamine (CID 143260703) is (1E,3Z)-1-methoxypenta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-methoxypenta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-methoxypenta-1,3-diene-1,4-diamine is CO/C(N)=C/C=C(/C)N.
What is the InChIKey of (1E,3Z)-1-methoxypenta-1,3-diene-1,4-diamine?
The InChIKey is JBMYEFYQRAHAIM-CIIODKQPSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(7)3-4-6(8)9-2/h3-4H,7-8H2,1-2H3/b5-3-,6-4+.
What are the key properties of (1E,3Z)-1-methoxypenta-1,3-diene-1,4-diamine?
(1E,3Z)-1-methoxypenta-1,3-diene-1,4-diamine has a molecular weight of 128.17 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-methoxypenta-1,3-diene-1,4-diamine is sourced from PubChem (CID 143260703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).