(2E)-2-[(Z)-2-oxa-8-azaspiro[4.5]decan-4-ylidenemethyl]penta-2,4-dien-1-amine

C14H22N2O — CID 89182451

IUPAC(2E)-2-[(Z)-2-oxa-8-azaspiro[4.5]decan-4-ylidenemethyl]penta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C1/COCC12CCNCC2)CN
InChIInChI=1S/C14H22N2O/c1-2-3-12(9-15)8-13-10-17-11-14(13)4-6-16-7-5-14/h2-3,8,16H,1,4-7,9-11,15H2/b12-3+,13-8+
InChIKeyLHJTZXWUGWFNDD-QDZFJBQASA-N
MW234.34 g/mol
LogP1.38
Rot. Bonds3

About (2E)-2-[(Z)-2-oxa-8-azaspiro[4.5]decan-4-ylidenemethyl]penta-2,4-dien-1-amine

(2E)-2-[(Z)-2-oxa-8-azaspiro[4.5]decan-4-ylidenemethyl]penta-2,4-dien-1-amine (PubChem CID 89182451) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2E)-2-[(Z)-2-oxa-8-azaspiro[4.5]decan-4-ylidenemethyl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-[(Z)-2-oxa-8-azaspiro[4.5]decan-4-ylidenemethyl]penta-2,4-dien-1-amine
PubChem CID89182451
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2E)-2-[(Z)-2-oxa-8-azaspiro[4.5]decan-4-ylidenemethyl]penta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C1/COCC12CCNCC2)CN
InChIInChI=1S/C14H22N2O/c1-2-3-12(9-15)8-13-10-17-11-14(13)4-6-16-7-5-14/h2-3,8,16H,1,4-7,9-11,15H2/b12-3+,13-8+
InChIKeyLHJTZXWUGWFNDD-QDZFJBQASA-N
XLogP1.38
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-2-oxa-8-azaspiro[4.5]decan-4-ylidenemethyl]penta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-[(Z)-2-oxa-8-azaspiro[4.5]decan-4-ylidenemethyl]penta-2,4-dien-1-amine (CID 89182451) is (2E)-2-[(Z)-2-oxa-8-azaspiro[4.5]decan-4-ylidenemethyl]penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-[(Z)-2-oxa-8-azaspiro[4.5]decan-4-ylidenemethyl]penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-[(Z)-2-oxa-8-azaspiro[4.5]decan-4-ylidenemethyl]penta-2,4-dien-1-amine is C=C/C=C(\C=C1/COCC12CCNCC2)CN.
What is the InChIKey of (2E)-2-[(Z)-2-oxa-8-azaspiro[4.5]decan-4-ylidenemethyl]penta-2,4-dien-1-amine?
The InChIKey is LHJTZXWUGWFNDD-QDZFJBQASA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-3-12(9-15)8-13-10-17-11-14(13)4-6-16-7-5-14/h2-3,8,16H,1,4-7,9-11,15H2/b12-3+,13-8+.
What are the key properties of (2E)-2-[(Z)-2-oxa-8-azaspiro[4.5]decan-4-ylidenemethyl]penta-2,4-dien-1-amine?
(2E)-2-[(Z)-2-oxa-8-azaspiro[4.5]decan-4-ylidenemethyl]penta-2,4-dien-1-amine has a molecular weight of 234.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-2-oxa-8-azaspiro[4.5]decan-4-ylidenemethyl]penta-2,4-dien-1-amine is sourced from PubChem (CID 89182451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).