2-[(ethylideneamino)methylidene]-N,3,3-trimethylbutan-1-imine

C10H18N2 — CID 123666403

IUPAC2-[(ethylideneamino)methylidene]-N,3,3-trimethylbutan-1-imine
SMILESC/C=N/C=C(/C=N/C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-6-12-8-9(7-11-5)10(2,3)4/h6-8H,1-5H3/b9-8?,11-7+,12-6+
InChIKeyWTEWPRJNFGWQPH-HXUURBAGSA-N
MW166.27 g/mol
LogP2.71
Rot. Bonds2

About 2-[(ethylideneamino)methylidene]-N,3,3-trimethylbutan-1-imine

2-[(ethylideneamino)methylidene]-N,3,3-trimethylbutan-1-imine (PubChem CID 123666403) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-[(ethylideneamino)methylidene]-N,3,3-trimethylbutan-1-imine.

Molecular Properties

Compound Name2-[(ethylideneamino)methylidene]-N,3,3-trimethylbutan-1-imine
PubChem CID123666403
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-[(ethylideneamino)methylidene]-N,3,3-trimethylbutan-1-imine
SMILESC/C=N/C=C(/C=N/C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-6-12-8-9(7-11-5)10(2,3)4/h6-8H,1-5H3/b9-8?,11-7+,12-6+
InChIKeyWTEWPRJNFGWQPH-HXUURBAGSA-N
XLogP2.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine
CID 142360122
(Z)-N,3,3-trimethyl-2-(methyliminomethyl)but-1-en-1-amine
CID 21719598
4-tert-butyl-3H-pyrrole
CID 22561576
2,2-dimethyl-N-[(Z)-2,3,3-trimethylbut-1-enyl]propan-1-imine
CID 59179868
[(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium
CID 59549141
(2Z)-N,3,3-trimethyl-2-[(methylideneamino)methylidene]butan-1-imine
CID 88949138
(2Z)-2-[(ethylideneamino)methylidene]-3-methylbutan-1-imine
CID 90278658
2-methyl-N-(2-methylbut-1-enyl)propan-1-imine
CID 90886341
6-Tert-butyl-2-methyl-2-propan-2-yl-1,4-diazepine
CID 90962542
N-[(Z)-2-methanimidoyl-3,3-dimethylbut-1-enyl]methanimidoyl iodide
CID 117848272
N-(2-ethylbut-1-enyl)propan-1-imine
CID 118048893
(2Z)-3,3-dimethyl-2-[(methylideneamino)methylidene]butan-1-imine
CID 118281865

Frequently Asked Questions

What is the IUPAC name of 2-[(ethylideneamino)methylidene]-N,3,3-trimethylbutan-1-imine?
The IUPAC name of 2-[(ethylideneamino)methylidene]-N,3,3-trimethylbutan-1-imine (CID 123666403) is 2-[(ethylideneamino)methylidene]-N,3,3-trimethylbutan-1-imine.
What is the SMILES notation for 2-[(ethylideneamino)methylidene]-N,3,3-trimethylbutan-1-imine?
The canonical SMILES for 2-[(ethylideneamino)methylidene]-N,3,3-trimethylbutan-1-imine is C/C=N/C=C(/C=N/C)C(C)(C)C.
What is the InChIKey of 2-[(ethylideneamino)methylidene]-N,3,3-trimethylbutan-1-imine?
The InChIKey is WTEWPRJNFGWQPH-HXUURBAGSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-12-8-9(7-11-5)10(2,3)4/h6-8H,1-5H3/b9-8?,11-7+,12-6+.
What are the key properties of 2-[(ethylideneamino)methylidene]-N,3,3-trimethylbutan-1-imine?
2-[(ethylideneamino)methylidene]-N,3,3-trimethylbutan-1-imine has a molecular weight of 166.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(ethylideneamino)methylidene]-N,3,3-trimethylbutan-1-imine is sourced from PubChem (CID 123666403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).