(2E,4E)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethenyl-N-methylhexa-2,4-dien-1-amine

C12H19N3 — CID 143645120

IUPAC(2E,4E)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethenyl-N-methylhexa-2,4-dien-1-amine
SMILESC=C/C(=C\C=C(/C)C1=NCCN1)CNC
InChIInChI=1S/C12H19N3/c1-4-11(9-13-3)6-5-10(2)12-14-7-8-15-12/h4-6,13H,1,7-9H2,2-3H3,(H,14,15)/b10-5+,11-6+
InChIKeyNIYQRKCNVIOIEA-YOYBCKCWSA-N
MW205.30 g/mol
LogP1.27
Rot. Bonds5

About (2E,4E)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethenyl-N-methylhexa-2,4-dien-1-amine

(2E,4E)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethenyl-N-methylhexa-2,4-dien-1-amine (PubChem CID 143645120) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (2E,4E)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethenyl-N-methylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethenyl-N-methylhexa-2,4-dien-1-amine
PubChem CID143645120
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name(2E,4E)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethenyl-N-methylhexa-2,4-dien-1-amine
SMILESC=C/C(=C\C=C(/C)C1=NCCN1)CNC
InChIInChI=1S/C12H19N3/c1-4-11(9-13-3)6-5-10(2)12-14-7-8-15-12/h4-6,13H,1,7-9H2,2-3H3,(H,14,15)/b10-5+,11-6+
InChIKeyNIYQRKCNVIOIEA-YOYBCKCWSA-N
XLogP1.27
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1E,3E)-penta-1,3-dienyl]-4,5-dihydro-1H-imidazole
CID 21608210
2-cyclohexa-1,3-dien-1-yl-4,5-dihydro-1H-imidazole
CID 20467551
2-penta-1,3-dien-3-yl-4,5-dihydro-1H-imidazole
CID 54153772
2-methyl-N'-propan-2-yl-3a,7a-dihydro-3H-benzimidazole-5-carboximidamide
CID 58856209
N-[2-(3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]prop-2-en-1-amine
CID 69191892
2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole
CID 90077005
2-[(5Z,7Z)-2-[(3Z)-penta-1,3-dien-2-yl]-4,9-dihydro-1H-1,3-diazonin-5-yl]prop-2-en-1-amine
CID 118186576
(E)-N-ethyl-N',2-dimethylbut-2-enimidamide
CID 118973189
2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 123201696
5-ethenyl-N-methyl-2,3-dihydro-1H-pyridin-6-imine
CID 136489670
2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen
CID 142160651
ethane;2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole;prop-1-ene
CID 142843948

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethenyl-N-methylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethenyl-N-methylhexa-2,4-dien-1-amine (CID 143645120) is (2E,4E)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethenyl-N-methylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethenyl-N-methylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethenyl-N-methylhexa-2,4-dien-1-amine is C=C/C(=C\C=C(/C)C1=NCCN1)CNC.
What is the InChIKey of (2E,4E)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethenyl-N-methylhexa-2,4-dien-1-amine?
The InChIKey is NIYQRKCNVIOIEA-YOYBCKCWSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-11(9-13-3)6-5-10(2)12-14-7-8-15-12/h4-6,13H,1,7-9H2,2-3H3,(H,14,15)/b10-5+,11-6+.
What are the key properties of (2E,4E)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethenyl-N-methylhexa-2,4-dien-1-amine?
(2E,4E)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethenyl-N-methylhexa-2,4-dien-1-amine has a molecular weight of 205.30 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethenyl-N-methylhexa-2,4-dien-1-amine is sourced from PubChem (CID 143645120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).