N-ethoxy-2-methoxycyclohexan-1-amine

C9H19NO2 — CID 82710281

IUPACN-ethoxy-2-methoxycyclohexan-1-amine
SMILESCCONC1CCCCC1OC
InChIInChI=1S/C9H19NO2/c1-3-12-10-8-6-4-5-7-9(8)11-2/h8-10H,3-7H2,1-2H3
InChIKeyIUARZYJSLYKINU-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.49
Rot. Bonds4

About N-ethoxy-2-methoxycyclohexan-1-amine

N-ethoxy-2-methoxycyclohexan-1-amine (PubChem CID 82710281) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-ethoxy-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-ethoxy-2-methoxycyclohexan-1-amine
PubChem CID82710281
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-ethoxy-2-methoxycyclohexan-1-amine
SMILESCCONC1CCCCC1OC
InChIInChI=1S/C9H19NO2/c1-3-12-10-8-6-4-5-7-9(8)11-2/h8-10H,3-7H2,1-2H3
InChIKeyIUARZYJSLYKINU-UHFFFAOYSA-N
XLogP1.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-methoxycyclohexan-1-amine?
The IUPAC name of N-ethoxy-2-methoxycyclohexan-1-amine (CID 82710281) is N-ethoxy-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-ethoxy-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-ethoxy-2-methoxycyclohexan-1-amine is CCONC1CCCCC1OC.
What is the InChIKey of N-ethoxy-2-methoxycyclohexan-1-amine?
The InChIKey is IUARZYJSLYKINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-12-10-8-6-4-5-7-9(8)11-2/h8-10H,3-7H2,1-2H3.
What are the key properties of N-ethoxy-2-methoxycyclohexan-1-amine?
N-ethoxy-2-methoxycyclohexan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 82710281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).