1-[(2E)-2-(methoxymethylidene)cyclohex-3-en-1-ylidene]-N,N-dimethylethanamine

C12H19NO — CID 57067395

IUPAC1-[(2E)-2-(methoxymethylidene)cyclohex-3-en-1-ylidene]-N,N-dimethylethanamine
SMILESCO/C=C1\C=CCCC1=C(C)N(C)C
InChIInChI=1S/C12H19NO/c1-10(13(2)3)12-8-6-5-7-11(12)9-14-4/h5,7,9H,6,8H2,1-4H3/b11-9+,12-10?
InChIKeyVBAOCXGTASLYAP-IQYMAPIOSA-N
MW193.29 g/mol
LogP2.70
Rot. Bonds2

About 1-[(2E)-2-(methoxymethylidene)cyclohex-3-en-1-ylidene]-N,N-dimethylethanamine

1-[(2E)-2-(methoxymethylidene)cyclohex-3-en-1-ylidene]-N,N-dimethylethanamine (PubChem CID 57067395) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[(2E)-2-(methoxymethylidene)cyclohex-3-en-1-ylidene]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[(2E)-2-(methoxymethylidene)cyclohex-3-en-1-ylidene]-N,N-dimethylethanamine
PubChem CID57067395
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[(2E)-2-(methoxymethylidene)cyclohex-3-en-1-ylidene]-N,N-dimethylethanamine
SMILESCO/C=C1\C=CCCC1=C(C)N(C)C
InChIInChI=1S/C12H19NO/c1-10(13(2)3)12-8-6-5-7-11(12)9-14-4/h5,7,9H,6,8H2,1-4H3/b11-9+,12-10?
InChIKeyVBAOCXGTASLYAP-IQYMAPIOSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine
CID 163661840

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-(methoxymethylidene)cyclohex-3-en-1-ylidene]-N,N-dimethylethanamine?
The IUPAC name of 1-[(2E)-2-(methoxymethylidene)cyclohex-3-en-1-ylidene]-N,N-dimethylethanamine (CID 57067395) is 1-[(2E)-2-(methoxymethylidene)cyclohex-3-en-1-ylidene]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[(2E)-2-(methoxymethylidene)cyclohex-3-en-1-ylidene]-N,N-dimethylethanamine?
The canonical SMILES for 1-[(2E)-2-(methoxymethylidene)cyclohex-3-en-1-ylidene]-N,N-dimethylethanamine is CO/C=C1\C=CCCC1=C(C)N(C)C.
What is the InChIKey of 1-[(2E)-2-(methoxymethylidene)cyclohex-3-en-1-ylidene]-N,N-dimethylethanamine?
The InChIKey is VBAOCXGTASLYAP-IQYMAPIOSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(13(2)3)12-8-6-5-7-11(12)9-14-4/h5,7,9H,6,8H2,1-4H3/b11-9+,12-10?.
What are the key properties of 1-[(2E)-2-(methoxymethylidene)cyclohex-3-en-1-ylidene]-N,N-dimethylethanamine?
1-[(2E)-2-(methoxymethylidene)cyclohex-3-en-1-ylidene]-N,N-dimethylethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-(methoxymethylidene)cyclohex-3-en-1-ylidene]-N,N-dimethylethanamine is sourced from PubChem (CID 57067395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).