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

C18H29NOY-2 — CID 59952628

IUPAC(E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium
SMILESCNC(C)(C)C(C)Oc1c(C)c[c-]cc1C.[CH2-]/C=C/C.[Y]
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;/b;4-3+;
InChIKeyIVIMDVWFFKRFJX-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

(E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium (PubChem CID 59952628) has the molecular formula C18H29NOY-2 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.

Molecular Properties

Compound Name(E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium
PubChem CID59952628
Molecular FormulaC18H29NOY-2
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
SMILESCNC(C)(C)C(C)Oc1c(C)c[c-]cc1C.[CH2-]/C=C/C.[Y]
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;/b;4-3+;
InChIKeyIVIMDVWFFKRFJX-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'}

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

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Related Compounds

2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine
CID 156867916
N-[2-[(2E,4E,6E)-5-ethenyl-8,8-dimethylnona-2,4,6-trien-3-yl]oxyethyl]-2-methylpropan-2-amine
CID 135174820
3-[(3E)-3-ethenylhexa-3,5-dien-2-yl]oxy-N,2-dimethylbut-3-en-2-amine
CID 143762718
N-methyl-2-[(3Z,5Z,7Z)-6-methylnona-3,5,7-trien-4-yl]oxypropan-1-amine
CID 153330092
ethane;2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine
CID 156867915
(2R)-N-ethyl-2-[(2E,4Z,6Z)-5-propan-2-ylocta-2,4,6-trien-3-yl]oxypropan-1-amine
CID 166996413
(2R)-2-[(3E,5Z)-4-tert-butylhepta-1,3,5-trien-2-yl]oxy-N-propan-2-ylpropan-1-amine
CID 166996468
(E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium(3+)
CID 20644836

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?
The IUPAC name of (E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium (CID 59952628) is (E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium.
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?
The canonical SMILES for (E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium is CNC(C)(C)C(C)Oc1c(C)c[c-]cc1C.[CH2-]/C=C/C.[Y].
What is the InChIKey of (E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium?
The InChIKey is IVIMDVWFFKRFJX-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;/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?
(E)-but-2-ene;3-(2,6-dimethylbenzene-4-id-1-yl)oxy-N,2-dimethylbutan-2-amine;yttrium 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 is sourced from PubChem (CID 59952628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).