(2Z)-2-[(ethylideneamino)methylidene]-3-methylbutan-1-imine

C8H14N2 — CID 90278658

IUPAC(2Z)-2-[(ethylideneamino)methylidene]-3-methylbutan-1-imine
SMILES[H]/N=C/C(=C\N=C\C)C(C)C
InChIInChI=1S/C8H14N2/c1-4-10-6-8(5-9)7(2)3/h4-7,9H,1-3H3/b8-6+,9-5+,10-4+
InChIKeyXTNOOGPGZVOEDY-DQEUTJQISA-N
MW138.21 g/mol
LogP2.27
Rot. Bonds3

About (2Z)-2-[(ethylideneamino)methylidene]-3-methylbutan-1-imine

(2Z)-2-[(ethylideneamino)methylidene]-3-methylbutan-1-imine (PubChem CID 90278658) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2Z)-2-[(ethylideneamino)methylidene]-3-methylbutan-1-imine.

Molecular Properties

Compound Name(2Z)-2-[(ethylideneamino)methylidene]-3-methylbutan-1-imine
PubChem CID90278658
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2Z)-2-[(ethylideneamino)methylidene]-3-methylbutan-1-imine
SMILES[H]/N=C/C(=C\N=C\C)C(C)C
InChIInChI=1S/C8H14N2/c1-4-10-6-8(5-9)7(2)3/h4-7,9H,1-3H3/b8-6+,9-5+,10-4+
InChIKeyXTNOOGPGZVOEDY-DQEUTJQISA-N
XLogP2.27
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(ethylideneamino)methylidene]-3-methylbutan-1-imine?
The IUPAC name of (2Z)-2-[(ethylideneamino)methylidene]-3-methylbutan-1-imine (CID 90278658) is (2Z)-2-[(ethylideneamino)methylidene]-3-methylbutan-1-imine.
What is the SMILES notation for (2Z)-2-[(ethylideneamino)methylidene]-3-methylbutan-1-imine?
The canonical SMILES for (2Z)-2-[(ethylideneamino)methylidene]-3-methylbutan-1-imine is [H]/N=C/C(=C\N=C\C)C(C)C.
What is the InChIKey of (2Z)-2-[(ethylideneamino)methylidene]-3-methylbutan-1-imine?
The InChIKey is XTNOOGPGZVOEDY-DQEUTJQISA-N. The full InChI is InChI=1S/C8H14N2/c1-4-10-6-8(5-9)7(2)3/h4-7,9H,1-3H3/b8-6+,9-5+,10-4+.
What are the key properties of (2Z)-2-[(ethylideneamino)methylidene]-3-methylbutan-1-imine?
(2Z)-2-[(ethylideneamino)methylidene]-3-methylbutan-1-imine has a molecular weight of 138.21 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(ethylideneamino)methylidene]-3-methylbutan-1-imine is sourced from PubChem (CID 90278658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).