N-ethyl-1-(1H-imidazol-2-yl)methanimine

C6H9N3 — CID 160847439

IUPACN-ethyl-1-(1H-imidazol-2-yl)methanimine
SMILESCC/N=C/c1ncc[nH]1
InChIInChI=1S/C6H9N3/c1-2-7-5-6-8-3-4-9-6/h3-5H,2H2,1H3,(H,8,9)/b7-5+
InChIKeySIVBGUCTPVEGNE-FNORWQNLSA-N
MW123.16 g/mol
LogP0.85
Rot. Bonds2

About N-ethyl-1-(1H-imidazol-2-yl)methanimine

N-ethyl-1-(1H-imidazol-2-yl)methanimine (PubChem CID 160847439) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N-ethyl-1-(1H-imidazol-2-yl)methanimine.

Molecular Properties

Compound NameN-ethyl-1-(1H-imidazol-2-yl)methanimine
PubChem CID160847439
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN-ethyl-1-(1H-imidazol-2-yl)methanimine
SMILESCC/N=C/c1ncc[nH]1
InChIInChI=1S/C6H9N3/c1-2-7-5-6-8-3-4-9-6/h3-5H,2H2,1H3,(H,8,9)/b7-5+
InChIKeySIVBGUCTPVEGNE-FNORWQNLSA-N
XLogP0.85
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-imidazol-2-yl)-N-pentylmethanimine
CID 137270391
dipotassium;bis(2-(1H-imidazol-2-ylmethylideneamino)-N,N-bis[2-(1H-imidazol-2-ylmethylideneamino)ethyl]ethanamine);bis(iron(2+));hexaperchlorate
CID 139151851
2-[(Z)-pent-1-enyl]-1H-imidazole
CID 129140949
2-pent-1-enyl-1H-imidazole
CID 57076372
1-(1H-imidazol-2-yl)-N-(3-phenylselanylpropyl)methanimine
CID 136861254
2-(1H-imidazol-2-ylmethylideneamino)phenol;methanol
CID 139182795
1-(1H-imidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine
CID 135581381
(Z)-3-(1H-imidazol-2-yl)prop-2-en-1-ol
CID 10909565
2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole
CID 173339835
2-(1H-imidazol-2-yl)ethenylideneazanide
CID 101390804
4-[(E)-1H-imidazol-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one
CID 166178246
ethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide
CID 143945095

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1H-imidazol-2-yl)methanimine?
The IUPAC name of N-ethyl-1-(1H-imidazol-2-yl)methanimine (CID 160847439) is N-ethyl-1-(1H-imidazol-2-yl)methanimine.
What is the SMILES notation for N-ethyl-1-(1H-imidazol-2-yl)methanimine?
The canonical SMILES for N-ethyl-1-(1H-imidazol-2-yl)methanimine is CC/N=C/c1ncc[nH]1.
What is the InChIKey of N-ethyl-1-(1H-imidazol-2-yl)methanimine?
The InChIKey is SIVBGUCTPVEGNE-FNORWQNLSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-7-5-6-8-3-4-9-6/h3-5H,2H2,1H3,(H,8,9)/b7-5+.
What are the key properties of N-ethyl-1-(1H-imidazol-2-yl)methanimine?
N-ethyl-1-(1H-imidazol-2-yl)methanimine has a molecular weight of 123.16 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1H-imidazol-2-yl)methanimine is sourced from PubChem (CID 160847439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).