(E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium(3+)

C18H29NOY+ — CID 20644836

IUPAC(E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium(3+)
SMILESCNC(C)(C)C(C)Oc1c(C)c[c-]cc1C.[CH2-]/C=C/C.[Y+3]
InChIInChI=1S/C14H22NO.C4H7.Y/c1-10-8-7-9-11(2)13(10)16-12(3)14(4,5)15-6;1-3-4-2;/h8-9,12,15H,1-6H3;3-4H,1H2,2H3;/q2*-1;+3/b;4-3+;
InChIKeyGVMXQKXFTXDYRE-ITDJAWRYSA-N
MW364.34 g/mol
LogP4.26
Rot. Bonds4

About (E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium(3+)

(E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium(3+) (PubChem CID 20644836) has the molecular formula C18H29NOY+ and a molecular weight of 364.34 g/mol. Its IUPAC name is (E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium(3+).

Molecular Properties

Compound Name(E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium(3+)
PubChem CID20644836
Molecular FormulaC18H29NOY+
Molecular Weight364.34 g/mol
Exact Mass364.13
IUPAC Name(E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium(3+)
SMILESCNC(C)(C)C(C)Oc1c(C)c[c-]cc1C.[CH2-]/C=C/C.[Y+3]
InChIInChI=1S/C14H22NO.C4H7.Y/c1-10-8-7-9-11(2)13(10)16-12(3)14(4,5)15-6;1-3-4-2;/h8-9,12,15H,1-6H3;3-4H,1H2,2H3;/q2*-1;+3/b;4-3+;
InChIKeyGVMXQKXFTXDYRE-ITDJAWRYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
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 (E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium(3+)?
The IUPAC name of (E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium(3+) (CID 20644836) is (E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium(3+).
What is the SMILES notation for (E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium(3+)?
The canonical SMILES for (E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium(3+) is CNC(C)(C)C(C)Oc1c(C)c[c-]cc1C.[CH2-]/C=C/C.[Y+3].
What is the InChIKey of (E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium(3+)?
The InChIKey is GVMXQKXFTXDYRE-ITDJAWRYSA-N. The full InChI is InChI=1S/C14H22NO.C4H7.Y/c1-10-8-7-9-11(2)13(10)16-12(3)14(4,5)15-6;1-3-4-2;/h8-9,12,15H,1-6H3;3-4H,1H2,2H3;/q2*-1;+3/b;4-3+;.
What are the key properties of (E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium(3+)?
(E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium(3+) has a molecular weight of 364.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium(3+) is sourced from PubChem (CID 20644836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).