2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-2-en-1-imine

C11H19N — CID 130388445

IUPAC2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-2-en-1-imine
SMILESC=C(C)/C=N/C=C(\C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-9(2)7-12-8-10(3)11(4,5)6/h7-8H,1H2,2-6H3/b10-8+,12-7+
InChIKeyGICVYRVGAGYGOL-VIFQAHHHSA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds2

About 2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-2-en-1-imine

2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-2-en-1-imine (PubChem CID 130388445) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-2-en-1-imine
PubChem CID130388445
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-2-en-1-imine
SMILESC=C(C)/C=N/C=C(\C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-9(2)7-12-8-10(3)11(4,5)6/h7-8H,1H2,2-6H3/b10-8+,12-7+
InChIKeyGICVYRVGAGYGOL-VIFQAHHHSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-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 2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-2-en-1-imine?
The IUPAC name of 2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-2-en-1-imine (CID 130388445) is 2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for 2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-2-en-1-imine?
The canonical SMILES for 2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-2-en-1-imine is C=C(C)/C=N/C=C(\C)C(C)(C)C.
What is the InChIKey of 2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-2-en-1-imine?
The InChIKey is GICVYRVGAGYGOL-VIFQAHHHSA-N. The full InChI is InChI=1S/C11H19N/c1-9(2)7-12-8-10(3)11(4,5)6/h7-8H,1H2,2-6H3/b10-8+,12-7+.
What are the key properties of 2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-2-en-1-imine?
2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-2-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-2,3,3-trimethylbut-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 130388445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).