2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine

C18H24N4 — CID 134288718

IUPAC2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine
SMILESC=CCN(C)c1c(C)n(C)/c(=N\C2=C\C=C/CC#CC2)n1C
InChIInChI=1S/C18H24N4/c1-6-14-20(3)17-15(2)21(4)18(22(17)5)19-16-12-10-8-7-9-11-13-16/h6,8,10,12H,1,7,13-14H2,2-5H3/b10-8-,16-12+,19-18+
InChIKeyVOFVYPLGVQPHMS-LUPYKVTDSA-N
MW296.42 g/mol
LogP2.43
Rot. Bonds4

About 2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine

2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine (PubChem CID 134288718) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine
PubChem CID134288718
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine
SMILESC=CCN(C)c1c(C)n(C)/c(=N\C2=C\C=C/CC#CC2)n1C
InChIInChI=1S/C18H24N4/c1-6-14-20(3)17-15(2)21(4)18(22(17)5)19-16-12-10-8-7-9-11-13-16/h6,8,10,12H,1,7,13-14H2,2-5H3/b10-8-,16-12+,19-18+
InChIKeyVOFVYPLGVQPHMS-LUPYKVTDSA-N
XLogP2.43
TPSA25.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine?
The IUPAC name of 2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine (CID 134288718) is 2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine?
The canonical SMILES for 2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine is C=CCN(C)c1c(C)n(C)/c(=N\C2=C\C=C/CC#CC2)n1C.
What is the InChIKey of 2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine?
The InChIKey is VOFVYPLGVQPHMS-LUPYKVTDSA-N. The full InChI is InChI=1S/C18H24N4/c1-6-14-20(3)17-15(2)21(4)18(22(17)5)19-16-12-10-8-7-9-11-13-16/h6,8,10,12H,1,7,13-14H2,2-5H3/b10-8-,16-12+,19-18+.
What are the key properties of 2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine?
2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine has a molecular weight of 296.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3Z)-cycloocta-1,3-dien-6-yn-1-yl]imino-N,1,3,5-tetramethyl-N-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 134288718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).