(E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine

C16H26N2O — CID 143809253

IUPAC(E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine
SMILESC/C=C1C(=C/C=C(\C)CN)\OCC\12CCN(C)CC2
InChIInChI=1S/C16H26N2O/c1-4-14-15(6-5-13(2)11-17)19-12-16(14)7-9-18(3)10-8-16/h4-6H,7-12,17H2,1-3H3/b13-5+,14-4+,15-6+
InChIKeyVGOJGFZKVUNBEQ-YRFMQCOBSA-N
MW262.40 g/mol
LogP2.46
Rot. Bonds2

About (E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine

(E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine (PubChem CID 143809253) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine
PubChem CID143809253
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine
SMILESC/C=C1C(=C/C=C(\C)CN)\OCC\12CCN(C)CC2
InChIInChI=1S/C16H26N2O/c1-4-14-15(6-5-13(2)11-17)19-12-16(14)7-9-18(3)10-8-16/h4-6H,7-12,17H2,1-3H3/b13-5+,14-4+,15-6+
InChIKeyVGOJGFZKVUNBEQ-YRFMQCOBSA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine?
The IUPAC name of (E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine (CID 143809253) is (E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine.
What is the SMILES notation for (E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine?
The canonical SMILES for (E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine is C/C=C1C(=C/C=C(\C)CN)\OCC\12CCN(C)CC2.
What is the InChIKey of (E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine?
The InChIKey is VGOJGFZKVUNBEQ-YRFMQCOBSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-14-15(6-5-13(2)11-17)19-12-16(14)7-9-18(3)10-8-16/h4-6H,7-12,17H2,1-3H3/b13-5+,14-4+,15-6+.
What are the key properties of (E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine?
(E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine is sourced from PubChem (CID 143809253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).