(1Z,3Z)-5-(azetidin-3-yloxy)-3-methylhexa-1,3,5-trien-1-amine

C10H16N2O — CID 89355272

IUPAC(1Z,3Z)-5-(azetidin-3-yloxy)-3-methylhexa-1,3,5-trien-1-amine
SMILESC=C(/C=C(C)\C=C/N)OC1CNC1
InChIInChI=1S/C10H16N2O/c1-8(3-4-11)5-9(2)13-10-6-12-7-10/h3-5,10,12H,2,6-7,11H2,1H3/b4-3-,8-5-
InChIKeyGMFAMQGLMXAKCL-UBNNFMAXSA-N
MW180.25 g/mol
LogP0.91
Rot. Bonds4

About (1Z,3Z)-5-(azetidin-3-yloxy)-3-methylhexa-1,3,5-trien-1-amine

(1Z,3Z)-5-(azetidin-3-yloxy)-3-methylhexa-1,3,5-trien-1-amine (PubChem CID 89355272) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (1Z,3Z)-5-(azetidin-3-yloxy)-3-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-(azetidin-3-yloxy)-3-methylhexa-1,3,5-trien-1-amine
PubChem CID89355272
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(1Z,3Z)-5-(azetidin-3-yloxy)-3-methylhexa-1,3,5-trien-1-amine
SMILESC=C(/C=C(C)\C=C/N)OC1CNC1
InChIInChI=1S/C10H16N2O/c1-8(3-4-11)5-9(2)13-10-6-12-7-10/h3-5,10,12H,2,6-7,11H2,1H3/b4-3-,8-5-
InChIKeyGMFAMQGLMXAKCL-UBNNFMAXSA-N
XLogP0.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.91
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,3Z)-5-(azetidin-3-yloxy)-3-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-5-(azetidin-3-yloxy)-3-methylhexa-1,3,5-trien-1-amine (CID 89355272) is (1Z,3Z)-5-(azetidin-3-yloxy)-3-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-(azetidin-3-yloxy)-3-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-5-(azetidin-3-yloxy)-3-methylhexa-1,3,5-trien-1-amine is C=C(/C=C(C)\C=C/N)OC1CNC1.
What is the InChIKey of (1Z,3Z)-5-(azetidin-3-yloxy)-3-methylhexa-1,3,5-trien-1-amine?
The InChIKey is GMFAMQGLMXAKCL-UBNNFMAXSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(3-4-11)5-9(2)13-10-6-12-7-10/h3-5,10,12H,2,6-7,11H2,1H3/b4-3-,8-5-.
What are the key properties of (1Z,3Z)-5-(azetidin-3-yloxy)-3-methylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-5-(azetidin-3-yloxy)-3-methylhexa-1,3,5-trien-1-amine has a molecular weight of 180.25 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-(azetidin-3-yloxy)-3-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89355272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).