[(2Z)-2-[(E)-1,3-dimethoxybut-2-enylidene]cyclohexyl]methanamine

C13H23NO2 — CID 155314029

IUPAC[(2Z)-2-[(E)-1,3-dimethoxybut-2-enylidene]cyclohexyl]methanamine
SMILESCOC(/C=C(\C)OC)=C1/CCCCC1CN
InChIInChI=1S/C13H23NO2/c1-10(15-2)8-13(16-3)12-7-5-4-6-11(12)9-14/h8,11H,4-7,9,14H2,1-3H3/b10-8+,13-12-
InChIKeyJQSDFOCZDMURQD-SMEYHRCOSA-N
MW225.33 g/mol
LogP2.59
Rot. Bonds4

About [(2Z)-2-[(E)-1,3-dimethoxybut-2-enylidene]cyclohexyl]methanamine

[(2Z)-2-[(E)-1,3-dimethoxybut-2-enylidene]cyclohexyl]methanamine (PubChem CID 155314029) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [(2Z)-2-[(E)-1,3-dimethoxybut-2-enylidene]cyclohexyl]methanamine.

Molecular Properties

Compound Name[(2Z)-2-[(E)-1,3-dimethoxybut-2-enylidene]cyclohexyl]methanamine
PubChem CID155314029
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[(2Z)-2-[(E)-1,3-dimethoxybut-2-enylidene]cyclohexyl]methanamine
SMILESCOC(/C=C(\C)OC)=C1/CCCCC1CN
InChIInChI=1S/C13H23NO2/c1-10(15-2)8-13(16-3)12-7-5-4-6-11(12)9-14/h8,11H,4-7,9,14H2,1-3H3/b10-8+,13-12-
InChIKeyJQSDFOCZDMURQD-SMEYHRCOSA-N
XLogP2.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-[(E)-1,3-dimethoxybut-2-enylidene]cyclohexyl]methanamine?
The IUPAC name of [(2Z)-2-[(E)-1,3-dimethoxybut-2-enylidene]cyclohexyl]methanamine (CID 155314029) is [(2Z)-2-[(E)-1,3-dimethoxybut-2-enylidene]cyclohexyl]methanamine.
What is the SMILES notation for [(2Z)-2-[(E)-1,3-dimethoxybut-2-enylidene]cyclohexyl]methanamine?
The canonical SMILES for [(2Z)-2-[(E)-1,3-dimethoxybut-2-enylidene]cyclohexyl]methanamine is COC(/C=C(\C)OC)=C1/CCCCC1CN.
What is the InChIKey of [(2Z)-2-[(E)-1,3-dimethoxybut-2-enylidene]cyclohexyl]methanamine?
The InChIKey is JQSDFOCZDMURQD-SMEYHRCOSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(15-2)8-13(16-3)12-7-5-4-6-11(12)9-14/h8,11H,4-7,9,14H2,1-3H3/b10-8+,13-12-.
What are the key properties of [(2Z)-2-[(E)-1,3-dimethoxybut-2-enylidene]cyclohexyl]methanamine?
[(2Z)-2-[(E)-1,3-dimethoxybut-2-enylidene]cyclohexyl]methanamine has a molecular weight of 225.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-[(E)-1,3-dimethoxybut-2-enylidene]cyclohexyl]methanamine is sourced from PubChem (CID 155314029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).