N-(1-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-propoxyethanimine

C15H21N3O — CID 139612478

IUPACN-(1-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-propoxyethanimine
SMILESCCCOCC=NC1(n2ccnc2)C=CC=CC1C
InChIInChI=1S/C15H21N3O/c1-3-11-19-12-9-17-15(18-10-8-16-13-18)7-5-4-6-14(15)2/h4-10,13-14H,3,11-12H2,1-2H3
InChIKeyZTRINFCNCHYDBH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.80
Rot. Bonds6

About N-(1-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-propoxyethanimine

N-(1-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-propoxyethanimine (PubChem CID 139612478) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-propoxyethanimine.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-propoxyethanimine
PubChem CID139612478
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-propoxyethanimine
SMILESCCCOCC=NC1(n2ccnc2)C=CC=CC1C
InChIInChI=1S/C15H21N3O/c1-3-11-19-12-9-17-15(18-10-8-16-13-18)7-5-4-6-14(15)2/h4-10,13-14H,3,11-12H2,1-2H3
InChIKeyZTRINFCNCHYDBH-UHFFFAOYSA-N
XLogP2.80
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-propoxyethanimine?
The IUPAC name of N-(1-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-propoxyethanimine (CID 139612478) is N-(1-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-propoxyethanimine.
What is the SMILES notation for N-(1-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-propoxyethanimine?
The canonical SMILES for N-(1-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-propoxyethanimine is CCCOCC=NC1(n2ccnc2)C=CC=CC1C.
What is the InChIKey of N-(1-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-propoxyethanimine?
The InChIKey is ZTRINFCNCHYDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-11-19-12-9-17-15(18-10-8-16-13-18)7-5-4-6-14(15)2/h4-10,13-14H,3,11-12H2,1-2H3.
What are the key properties of N-(1-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-propoxyethanimine?
N-(1-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-propoxyethanimine has a molecular weight of 259.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-6-methylcyclohexa-2,4-dien-1-yl)-2-propoxyethanimine is sourced from PubChem (CID 139612478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).