N-(2-ethoxyethyl)cyclohexanamine

C10H21NO — CID 13173847

IUPACN-(2-ethoxyethyl)cyclohexanamine
SMILESCCOCCNC1CCCCC1
InChIInChI=1S/C10H21NO/c1-2-12-9-8-11-10-6-4-3-5-7-10/h10-11H,2-9H2,1H3
InChIKeyCSMCOTKEULLIPA-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.95
Rot. Bonds5

About N-(2-ethoxyethyl)cyclohexanamine

N-(2-ethoxyethyl)cyclohexanamine (PubChem CID 13173847) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(2-ethoxyethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)cyclohexanamine
PubChem CID13173847
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(2-ethoxyethyl)cyclohexanamine
SMILESCCOCCNC1CCCCC1
InChIInChI=1S/C10H21NO/c1-2-12-9-8-11-10-6-4-3-5-7-10/h10-11H,2-9H2,1H3
InChIKeyCSMCOTKEULLIPA-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)cyclohexanamine?
The IUPAC name of N-(2-ethoxyethyl)cyclohexanamine (CID 13173847) is N-(2-ethoxyethyl)cyclohexanamine.
What is the SMILES notation for N-(2-ethoxyethyl)cyclohexanamine?
The canonical SMILES for N-(2-ethoxyethyl)cyclohexanamine is CCOCCNC1CCCCC1.
What is the InChIKey of N-(2-ethoxyethyl)cyclohexanamine?
The InChIKey is CSMCOTKEULLIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-12-9-8-11-10-6-4-3-5-7-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(2-ethoxyethyl)cyclohexanamine?
N-(2-ethoxyethyl)cyclohexanamine has a molecular weight of 171.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)cyclohexanamine is sourced from PubChem (CID 13173847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).