N-(2-methoxyethyl)-2-methylcyclohexan-1-imine

C10H19NO — CID 101271029

IUPACN-(2-methoxyethyl)-2-methylcyclohexan-1-imine
SMILESCOCC/N=C1\CCCCC1C
InChIInChI=1S/C10H19NO/c1-9-5-3-4-6-10(9)11-7-8-12-2/h9H,3-8H2,1-2H3/b11-10+
InChIKeyMLULCEGCYFACEU-ZHACJKMWSA-N
MW169.27 g/mol
LogP2.28
Rot. Bonds3

About N-(2-methoxyethyl)-2-methylcyclohexan-1-imine

N-(2-methoxyethyl)-2-methylcyclohexan-1-imine (PubChem CID 101271029) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methylcyclohexan-1-imine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methylcyclohexan-1-imine
PubChem CID101271029
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(2-methoxyethyl)-2-methylcyclohexan-1-imine
SMILESCOCC/N=C1\CCCCC1C
InChIInChI=1S/C10H19NO/c1-9-5-3-4-6-10(9)11-7-8-12-2/h9H,3-8H2,1-2H3/b11-10+
InChIKeyMLULCEGCYFACEU-ZHACJKMWSA-N
XLogP2.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.28
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 N-(2-methoxyethyl)-2-methylcyclohexan-1-imine?
The IUPAC name of N-(2-methoxyethyl)-2-methylcyclohexan-1-imine (CID 101271029) is N-(2-methoxyethyl)-2-methylcyclohexan-1-imine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methylcyclohexan-1-imine?
The canonical SMILES for N-(2-methoxyethyl)-2-methylcyclohexan-1-imine is COCC/N=C1\CCCCC1C.
What is the InChIKey of N-(2-methoxyethyl)-2-methylcyclohexan-1-imine?
The InChIKey is MLULCEGCYFACEU-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19NO/c1-9-5-3-4-6-10(9)11-7-8-12-2/h9H,3-8H2,1-2H3/b11-10+.
What are the key properties of N-(2-methoxyethyl)-2-methylcyclohexan-1-imine?
N-(2-methoxyethyl)-2-methylcyclohexan-1-imine has a molecular weight of 169.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methylcyclohexan-1-imine is sourced from PubChem (CID 101271029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).