N-ethoxy-2-propan-2-ylcyclohexan-1-amine

C11H23NO — CID 82709453

IUPACN-ethoxy-2-propan-2-ylcyclohexan-1-amine
SMILESCCONC1CCCCC1C(C)C
InChIInChI=1S/C11H23NO/c1-4-13-12-11-8-6-5-7-10(11)9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyVBRUFOZKJUGCKH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.74
Rot. Bonds4

About N-ethoxy-2-propan-2-ylcyclohexan-1-amine

N-ethoxy-2-propan-2-ylcyclohexan-1-amine (PubChem CID 82709453) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-ethoxy-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethoxy-2-propan-2-ylcyclohexan-1-amine
PubChem CID82709453
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-ethoxy-2-propan-2-ylcyclohexan-1-amine
SMILESCCONC1CCCCC1C(C)C
InChIInChI=1S/C11H23NO/c1-4-13-12-11-8-6-5-7-10(11)9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyVBRUFOZKJUGCKH-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-ethoxy-2-propan-2-ylcyclohexan-1-amine (CID 82709453) is N-ethoxy-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-ethoxy-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-ethoxy-2-propan-2-ylcyclohexan-1-amine is CCONC1CCCCC1C(C)C.
What is the InChIKey of N-ethoxy-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is VBRUFOZKJUGCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-13-12-11-8-6-5-7-10(11)9(2)3/h9-12H,4-8H2,1-3H3.
What are the key properties of N-ethoxy-2-propan-2-ylcyclohexan-1-amine?
N-ethoxy-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 82709453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).