(1E)-1-[(5Z)-5-but-3-en-2-ylidene-1-methyl-2-prop-2-enylimidazol-4-ylidene]-N,N-dimethylmethanamine

C14H21N3 — CID 135143094

IUPAC(1E)-1-[(5Z)-5-but-3-en-2-ylidene-1-methyl-2-prop-2-enylimidazol-4-ylidene]-N,N-dimethylmethanamine
SMILESC=CCc1nc(=C/N(C)C)/c(=C(\C)C=C)n1C
InChIInChI=1S/C14H21N3/c1-7-9-13-15-12(10-16(4)5)14(17(13)6)11(3)8-2/h7-8,10H,1-2,9H2,3-6H3/b12-10+,14-11-
InChIKeyRRNDCVKYANECDY-MQZPGMTCSA-N
MW231.34 g/mol
LogP0.80
Rot. Bonds4

About (1E)-1-[(5Z)-5-but-3-en-2-ylidene-1-methyl-2-prop-2-enylimidazol-4-ylidene]-N,N-dimethylmethanamine

(1E)-1-[(5Z)-5-but-3-en-2-ylidene-1-methyl-2-prop-2-enylimidazol-4-ylidene]-N,N-dimethylmethanamine (PubChem CID 135143094) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (1E)-1-[(5Z)-5-but-3-en-2-ylidene-1-methyl-2-prop-2-enylimidazol-4-ylidene]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name(1E)-1-[(5Z)-5-but-3-en-2-ylidene-1-methyl-2-prop-2-enylimidazol-4-ylidene]-N,N-dimethylmethanamine
PubChem CID135143094
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(1E)-1-[(5Z)-5-but-3-en-2-ylidene-1-methyl-2-prop-2-enylimidazol-4-ylidene]-N,N-dimethylmethanamine
SMILESC=CCc1nc(=C/N(C)C)/c(=C(\C)C=C)n1C
InChIInChI=1S/C14H21N3/c1-7-9-13-15-12(10-16(4)5)14(17(13)6)11(3)8-2/h7-8,10H,1-2,9H2,3-6H3/b12-10+,14-11-
InChIKeyRRNDCVKYANECDY-MQZPGMTCSA-N
XLogP0.80
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(5Z)-5-but-3-en-2-ylidene-1-methyl-2-prop-2-enylimidazol-4-ylidene]-N,N-dimethylmethanamine?
The IUPAC name of (1E)-1-[(5Z)-5-but-3-en-2-ylidene-1-methyl-2-prop-2-enylimidazol-4-ylidene]-N,N-dimethylmethanamine (CID 135143094) is (1E)-1-[(5Z)-5-but-3-en-2-ylidene-1-methyl-2-prop-2-enylimidazol-4-ylidene]-N,N-dimethylmethanamine.
What is the SMILES notation for (1E)-1-[(5Z)-5-but-3-en-2-ylidene-1-methyl-2-prop-2-enylimidazol-4-ylidene]-N,N-dimethylmethanamine?
The canonical SMILES for (1E)-1-[(5Z)-5-but-3-en-2-ylidene-1-methyl-2-prop-2-enylimidazol-4-ylidene]-N,N-dimethylmethanamine is C=CCc1nc(=C/N(C)C)/c(=C(\C)C=C)n1C.
What is the InChIKey of (1E)-1-[(5Z)-5-but-3-en-2-ylidene-1-methyl-2-prop-2-enylimidazol-4-ylidene]-N,N-dimethylmethanamine?
The InChIKey is RRNDCVKYANECDY-MQZPGMTCSA-N. The full InChI is InChI=1S/C14H21N3/c1-7-9-13-15-12(10-16(4)5)14(17(13)6)11(3)8-2/h7-8,10H,1-2,9H2,3-6H3/b12-10+,14-11-.
What are the key properties of (1E)-1-[(5Z)-5-but-3-en-2-ylidene-1-methyl-2-prop-2-enylimidazol-4-ylidene]-N,N-dimethylmethanamine?
(1E)-1-[(5Z)-5-but-3-en-2-ylidene-1-methyl-2-prop-2-enylimidazol-4-ylidene]-N,N-dimethylmethanamine has a molecular weight of 231.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(5Z)-5-but-3-en-2-ylidene-1-methyl-2-prop-2-enylimidazol-4-ylidene]-N,N-dimethylmethanamine is sourced from PubChem (CID 135143094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).