(2E)-2-[(ethylideneamino)methylidene]-3-methyl-3-(propan-2-ylamino)butanenitrile

C11H19N3 — CID 154937300

IUPAC(2E)-2-[(ethylideneamino)methylidene]-3-methyl-3-(propan-2-ylamino)butanenitrile
SMILESC/C=N/C=C(/C#N)C(C)(C)NC(C)C
InChIInChI=1S/C11H19N3/c1-6-13-8-10(7-12)11(4,5)14-9(2)3/h6,8-9,14H,1-5H3/b10-8-,13-6+
InChIKeyUMQLQGCFBOUIPZ-CXYLWPJTSA-N
MW193.29 g/mol
LogP2.26
Rot. Bonds4

About (2E)-2-[(ethylideneamino)methylidene]-3-methyl-3-(propan-2-ylamino)butanenitrile

(2E)-2-[(ethylideneamino)methylidene]-3-methyl-3-(propan-2-ylamino)butanenitrile (PubChem CID 154937300) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (2E)-2-[(ethylideneamino)methylidene]-3-methyl-3-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name(2E)-2-[(ethylideneamino)methylidene]-3-methyl-3-(propan-2-ylamino)butanenitrile
PubChem CID154937300
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(2E)-2-[(ethylideneamino)methylidene]-3-methyl-3-(propan-2-ylamino)butanenitrile
SMILESC/C=N/C=C(/C#N)C(C)(C)NC(C)C
InChIInChI=1S/C11H19N3/c1-6-13-8-10(7-12)11(4,5)14-9(2)3/h6,8-9,14H,1-5H3/b10-8-,13-6+
InChIKeyUMQLQGCFBOUIPZ-CXYLWPJTSA-N
XLogP2.26
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(ethylideneamino)methylidene]-3-methyl-3-(propan-2-ylamino)butanenitrile?
The IUPAC name of (2E)-2-[(ethylideneamino)methylidene]-3-methyl-3-(propan-2-ylamino)butanenitrile (CID 154937300) is (2E)-2-[(ethylideneamino)methylidene]-3-methyl-3-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for (2E)-2-[(ethylideneamino)methylidene]-3-methyl-3-(propan-2-ylamino)butanenitrile?
The canonical SMILES for (2E)-2-[(ethylideneamino)methylidene]-3-methyl-3-(propan-2-ylamino)butanenitrile is C/C=N/C=C(/C#N)C(C)(C)NC(C)C.
What is the InChIKey of (2E)-2-[(ethylideneamino)methylidene]-3-methyl-3-(propan-2-ylamino)butanenitrile?
The InChIKey is UMQLQGCFBOUIPZ-CXYLWPJTSA-N. The full InChI is InChI=1S/C11H19N3/c1-6-13-8-10(7-12)11(4,5)14-9(2)3/h6,8-9,14H,1-5H3/b10-8-,13-6+.
What are the key properties of (2E)-2-[(ethylideneamino)methylidene]-3-methyl-3-(propan-2-ylamino)butanenitrile?
(2E)-2-[(ethylideneamino)methylidene]-3-methyl-3-(propan-2-ylamino)butanenitrile has a molecular weight of 193.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(ethylideneamino)methylidene]-3-methyl-3-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 154937300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).