2-butoxy-N-methylcyclohexan-1-imine

C11H21NO — CID 169209914

IUPAC2-butoxy-N-methylcyclohexan-1-imine
SMILESCCCCOC1CCCC/C1=N\C
InChIInChI=1S/C11H21NO/c1-3-4-9-13-11-8-6-5-7-10(11)12-2/h11H,3-9H2,1-2H3/b12-10+
InChIKeyJKQGPJLVXHOBCI-ZRDIBKRKSA-N
MW183.29 g/mol
LogP2.82
Rot. Bonds4

About 2-butoxy-N-methylcyclohexan-1-imine

2-butoxy-N-methylcyclohexan-1-imine (PubChem CID 169209914) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-butoxy-N-methylcyclohexan-1-imine.

Molecular Properties

Compound Name2-butoxy-N-methylcyclohexan-1-imine
PubChem CID169209914
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-butoxy-N-methylcyclohexan-1-imine
SMILESCCCCOC1CCCC/C1=N\C
InChIInChI=1S/C11H21NO/c1-3-4-9-13-11-8-6-5-7-10(11)12-2/h11H,3-9H2,1-2H3/b12-10+
InChIKeyJKQGPJLVXHOBCI-ZRDIBKRKSA-N
XLogP2.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-methylcyclohexan-1-imine?
The IUPAC name of 2-butoxy-N-methylcyclohexan-1-imine (CID 169209914) is 2-butoxy-N-methylcyclohexan-1-imine.
What is the SMILES notation for 2-butoxy-N-methylcyclohexan-1-imine?
The canonical SMILES for 2-butoxy-N-methylcyclohexan-1-imine is CCCCOC1CCCC/C1=N\C.
What is the InChIKey of 2-butoxy-N-methylcyclohexan-1-imine?
The InChIKey is JKQGPJLVXHOBCI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-9-13-11-8-6-5-7-10(11)12-2/h11H,3-9H2,1-2H3/b12-10+.
What are the key properties of 2-butoxy-N-methylcyclohexan-1-imine?
2-butoxy-N-methylcyclohexan-1-imine has a molecular weight of 183.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-methylcyclohexan-1-imine is sourced from PubChem (CID 169209914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).