N-prop-1-en-2-yl-3-[[3-(prop-1-en-2-ylamino)cyclohexa-2,4-dien-1-yl]methyl]benzene-4-id-1-amine;yttrium

C19H22N2Y-2 — CID 59552256

IUPACN-prop-1-en-2-yl-3-[[3-(prop-1-en-2-ylamino)cyclohexa-2,4-dien-1-yl]methyl]benzene-4-id-1-amine;yttrium
SMILESC=C(C)NC1=CC(Cc2[c-]ccc(NC(=C)C)c2)[CH-]C=C1.[Y]
InChIInChI=1S/C19H22N2.Y/c1-14(2)20-18-9-5-7-16(12-18)11-17-8-6-10-19(13-17)21-15(3)4;/h5-7,9-10,12-13,16,20-21H,1,3,11H2,2,4H3;/q-2;
InChIKeyLXXFQORSABPXOL-UHFFFAOYSA-N
MW367.31 g/mol
LogP4.37
Rot. Bonds6

About N-prop-1-en-2-yl-3-[[3-(prop-1-en-2-ylamino)cyclohexa-2,4-dien-1-yl]methyl]benzene-4-id-1-amine;yttrium

N-prop-1-en-2-yl-3-[[3-(prop-1-en-2-ylamino)cyclohexa-2,4-dien-1-yl]methyl]benzene-4-id-1-amine;yttrium (PubChem CID 59552256) has the molecular formula C19H22N2Y-2 and a molecular weight of 367.31 g/mol. Its IUPAC name is N-prop-1-en-2-yl-3-[[3-(prop-1-en-2-ylamino)cyclohexa-2,4-dien-1-yl]methyl]benzene-4-id-1-amine;yttrium.

Molecular Properties

Compound NameN-prop-1-en-2-yl-3-[[3-(prop-1-en-2-ylamino)cyclohexa-2,4-dien-1-yl]methyl]benzene-4-id-1-amine;yttrium
PubChem CID59552256
Molecular FormulaC19H22N2Y-2
Molecular Weight367.31 g/mol
Exact Mass367.09
IUPAC NameN-prop-1-en-2-yl-3-[[3-(prop-1-en-2-ylamino)cyclohexa-2,4-dien-1-yl]methyl]benzene-4-id-1-amine;yttrium
SMILESC=C(C)NC1=CC(Cc2[c-]ccc(NC(=C)C)c2)[CH-]C=C1.[Y]
InChIInChI=1S/C19H22N2.Y/c1-14(2)20-18-9-5-7-16(12-18)11-17-8-6-10-19(13-17)21-15(3)4;/h5-7,9-10,12-13,16,20-21H,1,3,11H2,2,4H3;/q-2;
InChIKeyLXXFQORSABPXOL-UHFFFAOYSA-N
XLogP4.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-yl-3-[[3-(prop-1-en-2-ylamino)cyclohexa-2,4-dien-1-yl]methyl]benzene-4-id-1-amine;yttrium?
The IUPAC name of N-prop-1-en-2-yl-3-[[3-(prop-1-en-2-ylamino)cyclohexa-2,4-dien-1-yl]methyl]benzene-4-id-1-amine;yttrium (CID 59552256) is N-prop-1-en-2-yl-3-[[3-(prop-1-en-2-ylamino)cyclohexa-2,4-dien-1-yl]methyl]benzene-4-id-1-amine;yttrium.
What is the SMILES notation for N-prop-1-en-2-yl-3-[[3-(prop-1-en-2-ylamino)cyclohexa-2,4-dien-1-yl]methyl]benzene-4-id-1-amine;yttrium?
The canonical SMILES for N-prop-1-en-2-yl-3-[[3-(prop-1-en-2-ylamino)cyclohexa-2,4-dien-1-yl]methyl]benzene-4-id-1-amine;yttrium is C=C(C)NC1=CC(Cc2[c-]ccc(NC(=C)C)c2)[CH-]C=C1.[Y].
What is the InChIKey of N-prop-1-en-2-yl-3-[[3-(prop-1-en-2-ylamino)cyclohexa-2,4-dien-1-yl]methyl]benzene-4-id-1-amine;yttrium?
The InChIKey is LXXFQORSABPXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2.Y/c1-14(2)20-18-9-5-7-16(12-18)11-17-8-6-10-19(13-17)21-15(3)4;/h5-7,9-10,12-13,16,20-21H,1,3,11H2,2,4H3;/q-2;.
What are the key properties of N-prop-1-en-2-yl-3-[[3-(prop-1-en-2-ylamino)cyclohexa-2,4-dien-1-yl]methyl]benzene-4-id-1-amine;yttrium?
N-prop-1-en-2-yl-3-[[3-(prop-1-en-2-ylamino)cyclohexa-2,4-dien-1-yl]methyl]benzene-4-id-1-amine;yttrium has a molecular weight of 367.31 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-yl-3-[[3-(prop-1-en-2-ylamino)cyclohexa-2,4-dien-1-yl]methyl]benzene-4-id-1-amine;yttrium is sourced from PubChem (CID 59552256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).