N-ethoxy-2-ethylcyclohexan-1-amine

C10H21NO — CID 64974958

IUPACN-ethoxy-2-ethylcyclohexan-1-amine
SMILESCCONC1CCCCC1CC
InChIInChI=1S/C10H21NO/c1-3-9-7-5-6-8-10(9)11-12-4-2/h9-11H,3-8H2,1-2H3
InChIKeyILQDVVDYQXJVHY-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.50
Rot. Bonds4

About N-ethoxy-2-ethylcyclohexan-1-amine

N-ethoxy-2-ethylcyclohexan-1-amine (PubChem CID 64974958) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-ethoxy-2-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethoxy-2-ethylcyclohexan-1-amine
PubChem CID64974958
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-ethoxy-2-ethylcyclohexan-1-amine
SMILESCCONC1CCCCC1CC
InChIInChI=1S/C10H21NO/c1-3-9-7-5-6-8-10(9)11-12-4-2/h9-11H,3-8H2,1-2H3
InChIKeyILQDVVDYQXJVHY-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethylcyclohexan-1-amine?
The IUPAC name of N-ethoxy-2-ethylcyclohexan-1-amine (CID 64974958) is N-ethoxy-2-ethylcyclohexan-1-amine.
What is the SMILES notation for N-ethoxy-2-ethylcyclohexan-1-amine?
The canonical SMILES for N-ethoxy-2-ethylcyclohexan-1-amine is CCONC1CCCCC1CC.
What is the InChIKey of N-ethoxy-2-ethylcyclohexan-1-amine?
The InChIKey is ILQDVVDYQXJVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-9-7-5-6-8-10(9)11-12-4-2/h9-11H,3-8H2,1-2H3.
What are the key properties of N-ethoxy-2-ethylcyclohexan-1-amine?
N-ethoxy-2-ethylcyclohexan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-ethylcyclohexan-1-amine is sourced from PubChem (CID 64974958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).