3-methyl-N-[(E)-2-methylbut-2-enyl]but-3-en-2-imine

C10H17N — CID 134428008

IUPAC3-methyl-N-[(E)-2-methylbut-2-enyl]but-3-en-2-imine
SMILESC=C(C)/C(C)=N/C/C(C)=C/C
InChIInChI=1S/C10H17N/c1-6-9(4)7-11-10(5)8(2)3/h6H,2,7H2,1,3-5H3/b9-6+,11-10+
InChIKeyLHAXKHUKQUSBTF-GOKBKIRCSA-N
MW151.25 g/mol
LogP2.99
Rot. Bonds3

About 3-methyl-N-[(E)-2-methylbut-2-enyl]but-3-en-2-imine

3-methyl-N-[(E)-2-methylbut-2-enyl]but-3-en-2-imine (PubChem CID 134428008) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-methyl-N-[(E)-2-methylbut-2-enyl]but-3-en-2-imine.

Molecular Properties

Compound Name3-methyl-N-[(E)-2-methylbut-2-enyl]but-3-en-2-imine
PubChem CID134428008
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-methyl-N-[(E)-2-methylbut-2-enyl]but-3-en-2-imine
SMILESC=C(C)/C(C)=N/C/C(C)=C/C
InChIInChI=1S/C10H17N/c1-6-9(4)7-11-10(5)8(2)3/h6H,2,7H2,1,3-5H3/b9-6+,11-10+
InChIKeyLHAXKHUKQUSBTF-GOKBKIRCSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[(E)-2-methylbut-2-enyl]but-3-en-2-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 3-methyl-N-[(E)-2-methylbut-2-enyl]but-3-en-2-imine?
The IUPAC name of 3-methyl-N-[(E)-2-methylbut-2-enyl]but-3-en-2-imine (CID 134428008) is 3-methyl-N-[(E)-2-methylbut-2-enyl]but-3-en-2-imine.
What is the SMILES notation for 3-methyl-N-[(E)-2-methylbut-2-enyl]but-3-en-2-imine?
The canonical SMILES for 3-methyl-N-[(E)-2-methylbut-2-enyl]but-3-en-2-imine is C=C(C)/C(C)=N/C/C(C)=C/C.
What is the InChIKey of 3-methyl-N-[(E)-2-methylbut-2-enyl]but-3-en-2-imine?
The InChIKey is LHAXKHUKQUSBTF-GOKBKIRCSA-N. The full InChI is InChI=1S/C10H17N/c1-6-9(4)7-11-10(5)8(2)3/h6H,2,7H2,1,3-5H3/b9-6+,11-10+.
What are the key properties of 3-methyl-N-[(E)-2-methylbut-2-enyl]but-3-en-2-imine?
3-methyl-N-[(E)-2-methylbut-2-enyl]but-3-en-2-imine has a molecular weight of 151.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-2-methylbut-2-enyl]but-3-en-2-imine is sourced from PubChem (CID 134428008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).