(E)-N-tert-butyl-2-methylbut-2-en-1-imine

C9H17N — CID 10855536

IUPAC(E)-N-tert-butyl-2-methylbut-2-en-1-imine
SMILESC/C=C(C)/C=N/C(C)(C)C
InChIInChI=1S/C9H17N/c1-6-8(2)7-10-9(3,4)5/h6-7H,1-5H3/b8-6+,10-7+
InChIKeySKNZACQMKBONPB-NBANWCDVSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds1

About (E)-N-tert-butyl-2-methylbut-2-en-1-imine

(E)-N-tert-butyl-2-methylbut-2-en-1-imine (PubChem CID 10855536) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (E)-N-tert-butyl-2-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-tert-butyl-2-methylbut-2-en-1-imine
PubChem CID10855536
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(E)-N-tert-butyl-2-methylbut-2-en-1-imine
SMILESC/C=C(C)/C=N/C(C)(C)C
InChIInChI=1S/C9H17N/c1-6-8(2)7-10-9(3,4)5/h6-7H,1-5H3/b8-6+,10-7+
InChIKeySKNZACQMKBONPB-NBANWCDVSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-tert-butyl-2-methylbut-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-2-methylbut-2-en-1-imine?
The IUPAC name of (E)-N-tert-butyl-2-methylbut-2-en-1-imine (CID 10855536) is (E)-N-tert-butyl-2-methylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-tert-butyl-2-methylbut-2-en-1-imine?
The canonical SMILES for (E)-N-tert-butyl-2-methylbut-2-en-1-imine is C/C=C(C)/C=N/C(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-2-methylbut-2-en-1-imine?
The InChIKey is SKNZACQMKBONPB-NBANWCDVSA-N. The full InChI is InChI=1S/C9H17N/c1-6-8(2)7-10-9(3,4)5/h6-7H,1-5H3/b8-6+,10-7+.
What are the key properties of (E)-N-tert-butyl-2-methylbut-2-en-1-imine?
(E)-N-tert-butyl-2-methylbut-2-en-1-imine has a molecular weight of 139.24 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-2-methylbut-2-en-1-imine is sourced from PubChem (CID 10855536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).