2-(4-methylcyclooctyl)ethanimine

C11H21N — CID 155110970

IUPAC2-(4-methylcyclooctyl)ethanimine
SMILES[H]/N=C/CC1CCCCC(C)CC1
InChIInChI=1S/C11H21N/c1-10-4-2-3-5-11(7-6-10)8-9-12/h9-12H,2-8H2,1H3/b12-9+
InChIKeyMIEMZPYBZVCFNS-FMIVXFBMSA-N
MW167.30 g/mol
LogP3.63
Rot. Bonds2

About 2-(4-methylcyclooctyl)ethanimine

2-(4-methylcyclooctyl)ethanimine (PubChem CID 155110970) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-(4-methylcyclooctyl)ethanimine.

Molecular Properties

Compound Name2-(4-methylcyclooctyl)ethanimine
PubChem CID155110970
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-(4-methylcyclooctyl)ethanimine
SMILES[H]/N=C/CC1CCCCC(C)CC1
InChIInChI=1S/C11H21N/c1-10-4-2-3-5-11(7-6-10)8-9-12/h9-12H,2-8H2,1H3/b12-9+
InChIKeyMIEMZPYBZVCFNS-FMIVXFBMSA-N
XLogP3.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclooctyl)ethanimine?
The IUPAC name of 2-(4-methylcyclooctyl)ethanimine (CID 155110970) is 2-(4-methylcyclooctyl)ethanimine.
What is the SMILES notation for 2-(4-methylcyclooctyl)ethanimine?
The canonical SMILES for 2-(4-methylcyclooctyl)ethanimine is [H]/N=C/CC1CCCCC(C)CC1.
What is the InChIKey of 2-(4-methylcyclooctyl)ethanimine?
The InChIKey is MIEMZPYBZVCFNS-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H21N/c1-10-4-2-3-5-11(7-6-10)8-9-12/h9-12H,2-8H2,1H3/b12-9+.
What are the key properties of 2-(4-methylcyclooctyl)ethanimine?
2-(4-methylcyclooctyl)ethanimine has a molecular weight of 167.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclooctyl)ethanimine is sourced from PubChem (CID 155110970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).