N-ethoxy-3,3,5-trimethylcyclohexan-1-amine

C11H23NO — CID 82709355

IUPACN-ethoxy-3,3,5-trimethylcyclohexan-1-amine
SMILESCCONC1CC(C)CC(C)(C)C1
InChIInChI=1S/C11H23NO/c1-5-13-12-10-6-9(2)7-11(3,4)8-10/h9-10,12H,5-8H2,1-4H3
InChIKeyOZZPBNPECWDWSV-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.74
Rot. Bonds3

About N-ethoxy-3,3,5-trimethylcyclohexan-1-amine

N-ethoxy-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 82709355) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-ethoxy-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethoxy-3,3,5-trimethylcyclohexan-1-amine
PubChem CID82709355
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-ethoxy-3,3,5-trimethylcyclohexan-1-amine
SMILESCCONC1CC(C)CC(C)(C)C1
InChIInChI=1S/C11H23NO/c1-5-13-12-10-6-9(2)7-11(3,4)8-10/h9-10,12H,5-8H2,1-4H3
InChIKeyOZZPBNPECWDWSV-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.74
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-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of N-ethoxy-3,3,5-trimethylcyclohexan-1-amine (CID 82709355) is N-ethoxy-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-ethoxy-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for N-ethoxy-3,3,5-trimethylcyclohexan-1-amine is CCONC1CC(C)CC(C)(C)C1.
What is the InChIKey of N-ethoxy-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is OZZPBNPECWDWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-13-12-10-6-9(2)7-11(3,4)8-10/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-ethoxy-3,3,5-trimethylcyclohexan-1-amine?
N-ethoxy-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 82709355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).