N-[[(1E)-cyclodecen-1-yl]methyl]methanimine

C12H21N — CID 130279054

IUPACN-[[(1E)-cyclodecen-1-yl]methyl]methanimine
SMILESC=NC/C1=C/CCCCCCCC1
InChIInChI=1S/C12H21N/c1-13-11-12-9-7-5-3-2-4-6-8-10-12/h9H,1-8,10-11H2/b12-9+
InChIKeyPBFYUGGBWRPXBF-FMIVXFBMSA-N
MW179.31 g/mol
LogP3.75
Rot. Bonds2

About N-[[(1E)-cyclodecen-1-yl]methyl]methanimine

N-[[(1E)-cyclodecen-1-yl]methyl]methanimine (PubChem CID 130279054) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[[(1E)-cyclodecen-1-yl]methyl]methanimine.

Molecular Properties

Compound NameN-[[(1E)-cyclodecen-1-yl]methyl]methanimine
PubChem CID130279054
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[[(1E)-cyclodecen-1-yl]methyl]methanimine
SMILESC=NC/C1=C/CCCCCCCC1
InChIInChI=1S/C12H21N/c1-13-11-12-9-7-5-3-2-4-6-8-10-12/h9H,1-8,10-11H2/b12-9+
InChIKeyPBFYUGGBWRPXBF-FMIVXFBMSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.75
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-[[(1E)-cyclodecen-1-yl]methyl]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-[[(1E)-cyclodecen-1-yl]methyl]methanimine?
The IUPAC name of N-[[(1E)-cyclodecen-1-yl]methyl]methanimine (CID 130279054) is N-[[(1E)-cyclodecen-1-yl]methyl]methanimine.
What is the SMILES notation for N-[[(1E)-cyclodecen-1-yl]methyl]methanimine?
The canonical SMILES for N-[[(1E)-cyclodecen-1-yl]methyl]methanimine is C=NC/C1=C/CCCCCCCC1.
What is the InChIKey of N-[[(1E)-cyclodecen-1-yl]methyl]methanimine?
The InChIKey is PBFYUGGBWRPXBF-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H21N/c1-13-11-12-9-7-5-3-2-4-6-8-10-12/h9H,1-8,10-11H2/b12-9+.
What are the key properties of N-[[(1E)-cyclodecen-1-yl]methyl]methanimine?
N-[[(1E)-cyclodecen-1-yl]methyl]methanimine has a molecular weight of 179.31 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1E)-cyclodecen-1-yl]methyl]methanimine is sourced from PubChem (CID 130279054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).