N-[(Z)-3,3-dimethylbut-1-enyl]ethanimine

C8H15N — CID 123455300

IUPACN-[(Z)-3,3-dimethylbut-1-enyl]ethanimine
SMILESC/C=N/C=C\C(C)(C)C
InChIInChI=1S/C8H15N/c1-5-9-7-6-8(2,3)4/h5-7H,1-4H3/b7-6-,9-5+
InChIKeyOMOCIIDQUVMMPZ-QRLJIZSYSA-N
MW125.21 g/mol
LogP2.64
Rot. Bonds1

About N-[(Z)-3,3-dimethylbut-1-enyl]ethanimine

N-[(Z)-3,3-dimethylbut-1-enyl]ethanimine (PubChem CID 123455300) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-[(Z)-3,3-dimethylbut-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-3,3-dimethylbut-1-enyl]ethanimine
PubChem CID123455300
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-[(Z)-3,3-dimethylbut-1-enyl]ethanimine
SMILESC/C=N/C=C\C(C)(C)C
InChIInChI=1S/C8H15N/c1-5-9-7-6-8(2,3)4/h5-7H,1-4H3/b7-6-,9-5+
InChIKeyOMOCIIDQUVMMPZ-QRLJIZSYSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(Z)-3,3-dimethylbut-1-enyl]ethanimine 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 N-[(Z)-3,3-dimethylbut-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-3,3-dimethylbut-1-enyl]ethanimine (CID 123455300) is N-[(Z)-3,3-dimethylbut-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-3,3-dimethylbut-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-3,3-dimethylbut-1-enyl]ethanimine is C/C=N/C=C\C(C)(C)C.
What is the InChIKey of N-[(Z)-3,3-dimethylbut-1-enyl]ethanimine?
The InChIKey is OMOCIIDQUVMMPZ-QRLJIZSYSA-N. The full InChI is InChI=1S/C8H15N/c1-5-9-7-6-8(2,3)4/h5-7H,1-4H3/b7-6-,9-5+.
What are the key properties of N-[(Z)-3,3-dimethylbut-1-enyl]ethanimine?
N-[(Z)-3,3-dimethylbut-1-enyl]ethanimine has a molecular weight of 125.21 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,3-dimethylbut-1-enyl]ethanimine is sourced from PubChem (CID 123455300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).