(1E,3Z)-2-(ethylideneamino)-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine

C9H15N3 — CID 89224324

IUPAC(1E,3Z)-2-(ethylideneamino)-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
SMILESC=N/C(NC)=C(\C=C/C)/N=C/C
InChIInChI=1S/C9H15N3/c1-5-7-8(12-6-2)9(10-3)11-4/h5-7,11H,3H2,1-2,4H3/b7-5-,9-8-,12-6+
InChIKeyVVOOOYXEPCONHC-AOEWOUBCSA-N
MW165.24 g/mol
LogP1.74
Rot. Bonds4

About (1E,3Z)-2-(ethylideneamino)-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine

(1E,3Z)-2-(ethylideneamino)-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine (PubChem CID 89224324) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (1E,3Z)-2-(ethylideneamino)-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-2-(ethylideneamino)-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
PubChem CID89224324
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(1E,3Z)-2-(ethylideneamino)-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
SMILESC=N/C(NC)=C(\C=C/C)/N=C/C
InChIInChI=1S/C9H15N3/c1-5-7-8(12-6-2)9(10-3)11-4/h5-7,11H,3H2,1-2,4H3/b7-5-,9-8-,12-6+
InChIKeyVVOOOYXEPCONHC-AOEWOUBCSA-N
XLogP1.74
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-(ethylideneamino)-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-2-(ethylideneamino)-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine (CID 89224324) is (1E,3Z)-2-(ethylideneamino)-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-2-(ethylideneamino)-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-2-(ethylideneamino)-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine is C=N/C(NC)=C(\C=C/C)/N=C/C.
What is the InChIKey of (1E,3Z)-2-(ethylideneamino)-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The InChIKey is VVOOOYXEPCONHC-AOEWOUBCSA-N. The full InChI is InChI=1S/C9H15N3/c1-5-7-8(12-6-2)9(10-3)11-4/h5-7,11H,3H2,1-2,4H3/b7-5-,9-8-,12-6+.
What are the key properties of (1E,3Z)-2-(ethylideneamino)-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine?
(1E,3Z)-2-(ethylideneamino)-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-(ethylideneamino)-N-methyl-1-(methylideneamino)penta-1,3-dien-1-amine is sourced from PubChem (CID 89224324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).