ethane;N-ethoxycyclohexanimine

C10H21NO — CID 143171429

IUPACethane;N-ethoxycyclohexanimine
SMILESCC.CCON=C1CCCCC1
InChIInChI=1S/C8H15NO.C2H6/c1-2-10-9-8-6-4-3-5-7-8;1-2/h2-7H2,1H3;1-2H3
InChIKeyYYWXIBXOEWBLTK-UHFFFAOYSA-N
MW171.28 g/mol
LogP3.37
Rot. Bonds2

About ethane;N-ethoxycyclohexanimine

ethane;N-ethoxycyclohexanimine (PubChem CID 143171429) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;N-ethoxycyclohexanimine.

Molecular Properties

Compound Nameethane;N-ethoxycyclohexanimine
PubChem CID143171429
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;N-ethoxycyclohexanimine
SMILESCC.CCON=C1CCCCC1
InChIInChI=1S/C8H15NO.C2H6/c1-2-10-9-8-6-4-3-5-7-8;1-2/h2-7H2,1H3;1-2H3
InChIKeyYYWXIBXOEWBLTK-UHFFFAOYSA-N
XLogP3.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethoxycyclohexanimine?
The IUPAC name of ethane;N-ethoxycyclohexanimine (CID 143171429) is ethane;N-ethoxycyclohexanimine.
What is the SMILES notation for ethane;N-ethoxycyclohexanimine?
The canonical SMILES for ethane;N-ethoxycyclohexanimine is CC.CCON=C1CCCCC1.
What is the InChIKey of ethane;N-ethoxycyclohexanimine?
The InChIKey is YYWXIBXOEWBLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-2-10-9-8-6-4-3-5-7-8;1-2/h2-7H2,1H3;1-2H3.
What are the key properties of ethane;N-ethoxycyclohexanimine?
ethane;N-ethoxycyclohexanimine has a molecular weight of 171.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethoxycyclohexanimine is sourced from PubChem (CID 143171429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).