(3Z)-2-ethoxyhexa-1,3,5-triene-1,1-diamine

C8H14N2O — CID 143245723

IUPAC(3Z)-2-ethoxyhexa-1,3,5-triene-1,1-diamine
SMILESC=C/C=C\C(OCC)=C(N)N
InChIInChI=1S/C8H14N2O/c1-3-5-6-7(8(9)10)11-4-2/h3,5-6H,1,4,9-10H2,2H3/b6-5-
InChIKeyLMFZWUGKBXZDQQ-WAYWQWQTSA-N
MW154.21 g/mol
LogP0.85
Rot. Bonds4

About (3Z)-2-ethoxyhexa-1,3,5-triene-1,1-diamine

(3Z)-2-ethoxyhexa-1,3,5-triene-1,1-diamine (PubChem CID 143245723) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (3Z)-2-ethoxyhexa-1,3,5-triene-1,1-diamine.

Molecular Properties

Compound Name(3Z)-2-ethoxyhexa-1,3,5-triene-1,1-diamine
PubChem CID143245723
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(3Z)-2-ethoxyhexa-1,3,5-triene-1,1-diamine
SMILESC=C/C=C\C(OCC)=C(N)N
InChIInChI=1S/C8H14N2O/c1-3-5-6-7(8(9)10)11-4-2/h3,5-6H,1,4,9-10H2,2H3/b6-5-
InChIKeyLMFZWUGKBXZDQQ-WAYWQWQTSA-N
XLogP0.85
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 (3Z)-2-ethoxyhexa-1,3,5-triene-1,1-diamine?
The IUPAC name of (3Z)-2-ethoxyhexa-1,3,5-triene-1,1-diamine (CID 143245723) is (3Z)-2-ethoxyhexa-1,3,5-triene-1,1-diamine.
What is the SMILES notation for (3Z)-2-ethoxyhexa-1,3,5-triene-1,1-diamine?
The canonical SMILES for (3Z)-2-ethoxyhexa-1,3,5-triene-1,1-diamine is C=C/C=C\C(OCC)=C(N)N.
What is the InChIKey of (3Z)-2-ethoxyhexa-1,3,5-triene-1,1-diamine?
The InChIKey is LMFZWUGKBXZDQQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-5-6-7(8(9)10)11-4-2/h3,5-6H,1,4,9-10H2,2H3/b6-5-.
What are the key properties of (3Z)-2-ethoxyhexa-1,3,5-triene-1,1-diamine?
(3Z)-2-ethoxyhexa-1,3,5-triene-1,1-diamine has a molecular weight of 154.21 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-ethoxyhexa-1,3,5-triene-1,1-diamine is sourced from PubChem (CID 143245723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).