(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]-2-prop-2-enylimidazol-4-ylidene]methanamine

C17H27N3 — CID 135136862

IUPAC(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]-2-prop-2-enylimidazol-4-ylidene]methanamine
SMILESC=CCc1nc(=C/N(C)C)/c(=C(/C=C\C)C(C)C)n1C
InChIInChI=1S/C17H27N3/c1-8-10-14(13(3)4)17-15(12-19(5)6)18-16(11-9-2)20(17)7/h8-10,12-13H,2,11H2,1,3-7H3/b10-8-,15-12+,17-14+
InChIKeyXDAXTFNEMMRLIU-GMFSUMSQSA-N
MW273.42 g/mol
LogP1.83
Rot. Bonds5

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

(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]-2-prop-2-enylimidazol-4-ylidene]methanamine (PubChem CID 135136862) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (1E)-N,N-dimethyl-1-[(5Z)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]-2-prop-2-enylimidazol-4-ylidene]methanamine.

Molecular Properties

Compound Name(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]-2-prop-2-enylimidazol-4-ylidene]methanamine
PubChem CID135136862
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]-2-prop-2-enylimidazol-4-ylidene]methanamine
SMILESC=CCc1nc(=C/N(C)C)/c(=C(/C=C\C)C(C)C)n1C
InChIInChI=1S/C17H27N3/c1-8-10-14(13(3)4)17-15(12-19(5)6)18-16(11-9-2)20(17)7/h8-10,12-13H,2,11H2,1,3-7H3/b10-8-,15-12+,17-14+
InChIKeyXDAXTFNEMMRLIU-GMFSUMSQSA-N
XLogP1.83
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.83
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)-N,N-dimethyl-1-[(5Z)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]-2-prop-2-enylimidazol-4-ylidene]methanamine?
The IUPAC name of (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) is (1E)-N,N-dimethyl-1-[(5Z)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]-2-prop-2-enylimidazol-4-ylidene]methanamine.
What is the SMILES notation for (1E)-N,N-dimethyl-1-[(5Z)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]-2-prop-2-enylimidazol-4-ylidene]methanamine?
The canonical SMILES for (1E)-N,N-dimethyl-1-[(5Z)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]-2-prop-2-enylimidazol-4-ylidene]methanamine is C=CCc1nc(=C/N(C)C)/c(=C(/C=C\C)C(C)C)n1C.
What is the InChIKey of (1E)-N,N-dimethyl-1-[(5Z)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]-2-prop-2-enylimidazol-4-ylidene]methanamine?
The InChIKey is XDAXTFNEMMRLIU-GMFSUMSQSA-N. The full InChI is InChI=1S/C17H27N3/c1-8-10-14(13(3)4)17-15(12-19(5)6)18-16(11-9-2)20(17)7/h8-10,12-13H,2,11H2,1,3-7H3/b10-8-,15-12+,17-14+.
What are the key properties of (1E)-N,N-dimethyl-1-[(5Z)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]-2-prop-2-enylimidazol-4-ylidene]methanamine?
(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]-2-prop-2-enylimidazol-4-ylidene]methanamine has a molecular weight of 273.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,N-dimethyl-1-[(5Z)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]-2-prop-2-enylimidazol-4-ylidene]methanamine is sourced from PubChem (CID 135136862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).