(E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine

C15H23N3 — CID 138461541

IUPAC(E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine
SMILESCC/C(CNC)=N\C(=C\N)\C(C)=C1\C=CC=CC1
InChIInChI=1S/C15H23N3/c1-4-14(11-17-3)18-15(10-16)12(2)13-8-6-5-7-9-13/h5-8,10,17H,4,9,11,16H2,1-3H3/b13-12-,15-10+,18-14+
InChIKeyZYTKVRVWDBQJNY-LTNUCSNYSA-N
MW245.37 g/mol
LogP2.69
Rot. Bonds5

About (E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine

(E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine (PubChem CID 138461541) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine.

Molecular Properties

Compound Name(E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine
PubChem CID138461541
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine
SMILESCC/C(CNC)=N\C(=C\N)\C(C)=C1\C=CC=CC1
InChIInChI=1S/C15H23N3/c1-4-14(11-17-3)18-15(10-16)12(2)13-8-6-5-7-9-13/h5-8,10,17H,4,9,11,16H2,1-3H3/b13-12-,15-10+,18-14+
InChIKeyZYTKVRVWDBQJNY-LTNUCSNYSA-N
XLogP2.69
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine?
The IUPAC name of (E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine (CID 138461541) is (E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine.
What is the SMILES notation for (E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine?
The canonical SMILES for (E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine is CC/C(CNC)=N\C(=C\N)\C(C)=C1\C=CC=CC1.
What is the InChIKey of (E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine?
The InChIKey is ZYTKVRVWDBQJNY-LTNUCSNYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-14(11-17-3)18-15(10-16)12(2)13-8-6-5-7-9-13/h5-8,10,17H,4,9,11,16H2,1-3H3/b13-12-,15-10+,18-14+.
What are the key properties of (E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine?
(E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine is sourced from PubChem (CID 138461541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).