(1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine

C8H14N2O — CID 89204076

IUPAC(1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C(=C\C(C)=C/N)OC
InChIInChI=1S/C8H14N2O/c1-6(5-9)4-8(11-3)7(2)10/h4-5H,2,9-10H2,1,3H3/b6-5-,8-4+
InChIKeyLHNRYWIKILGVNX-QNMAEOQASA-N
MW154.21 g/mol
LogP0.85
Rot. Bonds3

About (1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine

(1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine (PubChem CID 89204076) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine
PubChem CID89204076
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C(=C\C(C)=C/N)OC
InChIInChI=1S/C8H14N2O/c1-6(5-9)4-8(11-3)7(2)10/h4-5H,2,9-10H2,1,3H3/b6-5-,8-4+
InChIKeyLHNRYWIKILGVNX-QNMAEOQASA-N
XLogP0.85
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.85
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 (1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine?
The IUPAC name of (1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine (CID 89204076) is (1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine.
What is the SMILES notation for (1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine?
The canonical SMILES for (1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine is C=C(N)/C(=C\C(C)=C/N)OC.
What is the InChIKey of (1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine?
The InChIKey is LHNRYWIKILGVNX-QNMAEOQASA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(5-9)4-8(11-3)7(2)10/h4-5H,2,9-10H2,1,3H3/b6-5-,8-4+.
What are the key properties of (1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine?
(1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine has a molecular weight of 154.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine is sourced from PubChem (CID 89204076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).