(Z,Z)-2-tert-butyl-N-(methylideneamino)but-2-en-1-imine

C9H16N2 — CID 88949143

IUPAC(Z,Z)-2-tert-butyl-N-(methylideneamino)but-2-en-1-imine
SMILESC=N/N=C\C(=C/C)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-6-8(7-11-10-5)9(2,3)4/h6-7H,5H2,1-4H3/b8-6+,11-7-
InChIKeyMOYVRLMRYAXGCD-VJUDZZRDSA-N
MW152.24 g/mol
LogP2.67
Rot. Bonds2

About (Z,Z)-2-tert-butyl-N-(methylideneamino)but-2-en-1-imine

(Z,Z)-2-tert-butyl-N-(methylideneamino)but-2-en-1-imine (PubChem CID 88949143) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z,Z)-2-tert-butyl-N-(methylideneamino)but-2-en-1-imine.

Molecular Properties

Compound Name(Z,Z)-2-tert-butyl-N-(methylideneamino)but-2-en-1-imine
PubChem CID88949143
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z,Z)-2-tert-butyl-N-(methylideneamino)but-2-en-1-imine
SMILESC=N/N=C\C(=C/C)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-6-8(7-11-10-5)9(2,3)4/h6-7H,5H2,1-4H3/b8-6+,11-7-
InChIKeyMOYVRLMRYAXGCD-VJUDZZRDSA-N
XLogP2.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,Z)-2-tert-butyl-N-(methylideneamino)but-2-en-1-imine?
The IUPAC name of (Z,Z)-2-tert-butyl-N-(methylideneamino)but-2-en-1-imine (CID 88949143) is (Z,Z)-2-tert-butyl-N-(methylideneamino)but-2-en-1-imine.
What is the SMILES notation for (Z,Z)-2-tert-butyl-N-(methylideneamino)but-2-en-1-imine?
The canonical SMILES for (Z,Z)-2-tert-butyl-N-(methylideneamino)but-2-en-1-imine is C=N/N=C\C(=C/C)C(C)(C)C.
What is the InChIKey of (Z,Z)-2-tert-butyl-N-(methylideneamino)but-2-en-1-imine?
The InChIKey is MOYVRLMRYAXGCD-VJUDZZRDSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-8(7-11-10-5)9(2,3)4/h6-7H,5H2,1-4H3/b8-6+,11-7-.
What are the key properties of (Z,Z)-2-tert-butyl-N-(methylideneamino)but-2-en-1-imine?
(Z,Z)-2-tert-butyl-N-(methylideneamino)but-2-en-1-imine has a molecular weight of 152.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,Z)-2-tert-butyl-N-(methylideneamino)but-2-en-1-imine is sourced from PubChem (CID 88949143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).