(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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Related Compounds

(5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole
CID 146359507
2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine
CID 134989134
7-Methyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 21766525
1,1,2,4-Tetrakis(prop-2-enyl)imidazol-1-ium
CID 66803283
2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine
CID 89382550
(2R)-2,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 89703901
1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine
CID 123161013
2-Methyl-8-prop-1-enyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 123905290
4-[2,3-Dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine
CID 129066267
N-methyl-1-(5-methyl-2-methylidene-1-pyridinyl)propan-1-imine
CID 130374044
(3Z)-1-tert-butyl-N-ethenyl-3-ethylidenepyrrol-2-imine
CID 132162888
(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]-2-prop-2-enylimidazol-4-ylidene]methanamine
CID 135136862

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).