N-(1-methoxyethyl)cyclohexanimine

C9H17NO — CID 21403091

IUPACN-(1-methoxyethyl)cyclohexanimine
SMILESCOC(C)N=C1CCCCC1
InChIInChI=1S/C9H17NO/c1-8(11-2)10-9-6-4-3-5-7-9/h8H,3-7H2,1-2H3
InChIKeyHECBJMALKZNXQN-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.38
Rot. Bonds2

About N-(1-methoxyethyl)cyclohexanimine

N-(1-methoxyethyl)cyclohexanimine (PubChem CID 21403091) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(1-methoxyethyl)cyclohexanimine.

Molecular Properties

Compound NameN-(1-methoxyethyl)cyclohexanimine
PubChem CID21403091
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(1-methoxyethyl)cyclohexanimine
SMILESCOC(C)N=C1CCCCC1
InChIInChI=1S/C9H17NO/c1-8(11-2)10-9-6-4-3-5-7-9/h8H,3-7H2,1-2H3
InChIKeyHECBJMALKZNXQN-UHFFFAOYSA-N
XLogP2.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(1-methoxyethyl)cyclohexanimine?
The IUPAC name of N-(1-methoxyethyl)cyclohexanimine (CID 21403091) is N-(1-methoxyethyl)cyclohexanimine.
What is the SMILES notation for N-(1-methoxyethyl)cyclohexanimine?
The canonical SMILES for N-(1-methoxyethyl)cyclohexanimine is COC(C)N=C1CCCCC1.
What is the InChIKey of N-(1-methoxyethyl)cyclohexanimine?
The InChIKey is HECBJMALKZNXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(11-2)10-9-6-4-3-5-7-9/h8H,3-7H2,1-2H3.
What are the key properties of N-(1-methoxyethyl)cyclohexanimine?
N-(1-methoxyethyl)cyclohexanimine has a molecular weight of 155.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyethyl)cyclohexanimine is sourced from PubChem (CID 21403091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).