(1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium

C19H29N2OY- — CID 177234826

IUPAC(1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium
SMILESCCC/C=C/C(C)=[C-]/C=C(C)/C(=C/N)/C=N/C1CCOCC1.[Y]
InChIInChI=1S/C19H29N2O.Y/c1-4-5-6-7-16(2)8-9-17(3)18(14-20)15-21-19-10-12-22-13-11-19;/h6-7,9,14-15,19H,4-5,10-13,20H2,1-3H3;/q-1;/b7-6+,17-9+,18-14+,21-15+;
InChIKeyZKJXBJOKMJOWCD-UVLYZXDTSA-N
MW390.36 g/mol
LogP4.13
Rot. Bonds7

About (1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium

(1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium (PubChem CID 177234826) has the molecular formula C19H29N2OY- and a molecular weight of 390.36 g/mol. Its IUPAC name is (1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium.

Molecular Properties

Compound Name(1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium
PubChem CID177234826
Molecular FormulaC19H29N2OY-
Molecular Weight390.36 g/mol
Exact Mass390.13
IUPAC Name(1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium
SMILESCCC/C=C/C(C)=[C-]/C=C(C)/C(=C/N)/C=N/C1CCOCC1.[Y]
InChIInChI=1S/C19H29N2O.Y/c1-4-5-6-7-16(2)8-9-17(3)18(14-20)15-21-19-10-12-22-13-11-19;/h6-7,9,14-15,19H,4-5,10-13,20H2,1-3H3;/q-1;/b7-6+,17-9+,18-14+,21-15+;
InChIKeyZKJXBJOKMJOWCD-UVLYZXDTSA-N
XLogP4.13
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium with MolForge

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Related Compounds

2-bromo-3-(oxan-4-ylimino)prop-1-en-1-amine
CID 148723063
(1E)-3-N-cyclopropyl-2-[(Z)-pent-1-enyl]buta-1,3-diene-1,3-diamine
CID 170190802
2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine
CID 174357445
N-(oxolan-3-yl)hex-2-enamide
CID 67977572
1-nitro-3-(oxan-4-ylimino)prop-1-en-1-amine
CID 174033831
ethyl 4-(oxan-4-yl)but-2-enoate
CID 68938273
(E)-1-morpholin-4-ylhex-2-en-1-one
CID 135042779
1,3-dioxane;hept-3-en-2-one
CID 174422535
(3E)-2-methylhepta-1,3-diene
CID 12928201
1-(oxetan-3-ylimino)but-2-ene-2,3-diamine
CID 163502502
2-methyl-3-(oxan-4-yl)prop-2-en-1-amine
CID 79330279
(2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene
CID 138668482

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium?
The IUPAC name of (1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium (CID 177234826) is (1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium.
What is the SMILES notation for (1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium?
The canonical SMILES for (1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium is CCC/C=C/C(C)=[C-]/C=C(C)/C(=C/N)/C=N/C1CCOCC1.[Y].
What is the InChIKey of (1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium?
The InChIKey is ZKJXBJOKMJOWCD-UVLYZXDTSA-N. The full InChI is InChI=1S/C19H29N2O.Y/c1-4-5-6-7-16(2)8-9-17(3)18(14-20)15-21-19-10-12-22-13-11-19;/h6-7,9,14-15,19H,4-5,10-13,20H2,1-3H3;/q-1;/b7-6+,17-9+,18-14+,21-15+;.
What are the key properties of (1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium?
(1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium has a molecular weight of 390.36 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,7E)-3,6-dimethyl-2-(oxan-4-yliminomethyl)undeca-1,3,5,7-tetraen-1-amine;yttrium is sourced from PubChem (CID 177234826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).