ethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen

C9H19N3 — CID 145371011

IUPACethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen
SMILESC/C=C1/NC=N/C1=N\CC.CC.[H][H]
InChIInChI=1S/C7H11N3.C2H6.H2/c1-3-6-7(8-4-2)10-5-9-6;1-2;/h3,5H,4H2,1-2H3,(H,8,9,10);1-2H3;1H/b6-3+;;
InChIKeyRNVDUAFCJJPBLH-RRHCXGJISA-N
MW169.27 g/mol
LogP2.21
Rot. Bonds1

About ethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen

ethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen (PubChem CID 145371011) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen.

Molecular Properties

Compound Nameethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen
PubChem CID145371011
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Nameethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen
SMILESC/C=C1/NC=N/C1=N\CC.CC.[H][H]
InChIInChI=1S/C7H11N3.C2H6.H2/c1-3-6-7(8-4-2)10-5-9-6;1-2;/h3,5H,4H2,1-2H3,(H,8,9,10);1-2H3;1H/b6-3+;;
InChIKeyRNVDUAFCJJPBLH-RRHCXGJISA-N
XLogP2.21
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.21
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

1,7-Dihydroimidazo[4,5-d][1,3]diazepine
CID 20346529
(5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine
CID 137030202
(5E)-N-methyl-5-prop-2-enylidene-1H-imidazol-4-imine
CID 137157877
(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine
CID 137220482
(5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine
CID 137230776
(4E,5E)-4,5-di(ethylidene)-1H-imidazole;ethane
CID 143316935
(5E)-N-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine
CID 143871723
ethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine
CID 144930582
N,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide
CID 145497001
(5E)-N-ethyl-5-ethylidene-1,2-dihydroimidazol-4-amine;molecular hydrogen
CID 145528293
N'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide
CID 147400047
(5E)-N-methyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine
CID 155099160

Frequently Asked Questions

What is the IUPAC name of ethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen?
The IUPAC name of ethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen (CID 145371011) is ethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen.
What is the SMILES notation for ethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen?
The canonical SMILES for ethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen is C/C=C1/NC=N/C1=N\CC.CC.[H][H].
What is the InChIKey of ethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen?
The InChIKey is RNVDUAFCJJPBLH-RRHCXGJISA-N. The full InChI is InChI=1S/C7H11N3.C2H6.H2/c1-3-6-7(8-4-2)10-5-9-6;1-2;/h3,5H,4H2,1-2H3,(H,8,9,10);1-2H3;1H/b6-3+;;.
What are the key properties of ethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen?
ethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen has a molecular weight of 169.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen is sourced from PubChem (CID 145371011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).