(1Z,3E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)buta-1,3-diene-1,4-diamine

C11H19N3O — CID 135129543

IUPAC(1Z,3E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)buta-1,3-diene-1,4-diamine
SMILESC=NN(/C=C/C=C\NC)C1CCCCO1
InChIInChI=1S/C11H19N3O/c1-12-8-4-5-9-14(13-2)11-7-3-6-10-15-11/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3/b8-4-,9-5+
InChIKeySTXYPPQUAPSJPM-MVTUOISNSA-N
MW209.29 g/mol
LogP1.68
Rot. Bonds5

About (1Z,3E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)buta-1,3-diene-1,4-diamine

(1Z,3E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)buta-1,3-diene-1,4-diamine (PubChem CID 135129543) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (1Z,3E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)buta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1Z,3E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)buta-1,3-diene-1,4-diamine
PubChem CID135129543
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(1Z,3E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)buta-1,3-diene-1,4-diamine
SMILESC=NN(/C=C/C=C\NC)C1CCCCO1
InChIInChI=1S/C11H19N3O/c1-12-8-4-5-9-14(13-2)11-7-3-6-10-15-11/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3/b8-4-,9-5+
InChIKeySTXYPPQUAPSJPM-MVTUOISNSA-N
XLogP1.68
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)buta-1,3-diene-1,4-diamine?
The IUPAC name of (1Z,3E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)buta-1,3-diene-1,4-diamine (CID 135129543) is (1Z,3E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)buta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1Z,3E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)buta-1,3-diene-1,4-diamine?
The canonical SMILES for (1Z,3E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)buta-1,3-diene-1,4-diamine is C=NN(/C=C/C=C\NC)C1CCCCO1.
What is the InChIKey of (1Z,3E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)buta-1,3-diene-1,4-diamine?
The InChIKey is STXYPPQUAPSJPM-MVTUOISNSA-N. The full InChI is InChI=1S/C11H19N3O/c1-12-8-4-5-9-14(13-2)11-7-3-6-10-15-11/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3/b8-4-,9-5+.
What are the key properties of (1Z,3E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)buta-1,3-diene-1,4-diamine?
(1Z,3E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)buta-1,3-diene-1,4-diamine has a molecular weight of 209.29 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)buta-1,3-diene-1,4-diamine is sourced from PubChem (CID 135129543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).