4-ethyl-N-methoxycyclohexan-1-imine

C9H17NO — CID 88984726

IUPAC4-ethyl-N-methoxycyclohexan-1-imine
SMILESCCC1CCC(=NOC)CC1
InChIInChI=1S/C9H17NO/c1-3-8-4-6-9(7-5-8)10-11-2/h8H,3-7H2,1-2H3/b10-9-
InChIKeyBUQSUEQUIGYMMX-KTKRTIGZSA-N
MW155.24 g/mol
LogP2.59
Rot. Bonds2

About 4-ethyl-N-methoxycyclohexan-1-imine

4-ethyl-N-methoxycyclohexan-1-imine (PubChem CID 88984726) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-ethyl-N-methoxycyclohexan-1-imine.

Molecular Properties

Compound Name4-ethyl-N-methoxycyclohexan-1-imine
PubChem CID88984726
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-ethyl-N-methoxycyclohexan-1-imine
SMILESCCC1CCC(=NOC)CC1
InChIInChI=1S/C9H17NO/c1-3-8-4-6-9(7-5-8)10-11-2/h8H,3-7H2,1-2H3/b10-9-
InChIKeyBUQSUEQUIGYMMX-KTKRTIGZSA-N
XLogP2.59
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 ≤ 52.59
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 4-ethyl-N-methoxycyclohexan-1-imine?
The IUPAC name of 4-ethyl-N-methoxycyclohexan-1-imine (CID 88984726) is 4-ethyl-N-methoxycyclohexan-1-imine.
What is the SMILES notation for 4-ethyl-N-methoxycyclohexan-1-imine?
The canonical SMILES for 4-ethyl-N-methoxycyclohexan-1-imine is CCC1CCC(=NOC)CC1.
What is the InChIKey of 4-ethyl-N-methoxycyclohexan-1-imine?
The InChIKey is BUQSUEQUIGYMMX-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8-4-6-9(7-5-8)10-11-2/h8H,3-7H2,1-2H3/b10-9-.
What are the key properties of 4-ethyl-N-methoxycyclohexan-1-imine?
4-ethyl-N-methoxycyclohexan-1-imine has a molecular weight of 155.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methoxycyclohexan-1-imine is sourced from PubChem (CID 88984726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).