N-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine

C12H23N — CID 126591324

IUPACN-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine
SMILESC=NC(C)(C)C(C)(C)/C(C)=C/CC
InChIInChI=1S/C12H23N/c1-8-9-10(2)11(3,4)12(5,6)13-7/h9H,7-8H2,1-6H3/b10-9+
InChIKeyPGEUHAPDTGFMNC-MDZDMXLPSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds4

About N-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine

N-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine (PubChem CID 126591324) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine
PubChem CID126591324
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine
SMILESC=NC(C)(C)C(C)(C)/C(C)=C/CC
InChIInChI=1S/C12H23N/c1-8-9-10(2)11(3,4)12(5,6)13-7/h9H,7-8H2,1-6H3/b10-9+
InChIKeyPGEUHAPDTGFMNC-MDZDMXLPSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.85
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 N-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine 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-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine?
The IUPAC name of N-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine (CID 126591324) is N-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine.
What is the SMILES notation for N-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine?
The canonical SMILES for N-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine is C=NC(C)(C)C(C)(C)/C(C)=C/CC.
What is the InChIKey of N-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine?
The InChIKey is PGEUHAPDTGFMNC-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H23N/c1-8-9-10(2)11(3,4)12(5,6)13-7/h9H,7-8H2,1-6H3/b10-9+.
What are the key properties of N-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine?
N-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine is sourced from PubChem (CID 126591324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).