N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine

C11H23NO — CID 97035459

IUPACN-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine
SMILESCCNCC[C@H]1CCCC[C@H]1OC
InChIInChI=1S/C11H23NO/c1-3-12-9-8-10-6-4-5-7-11(10)13-2/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyWRGMGPCSFCUSTQ-GHMZBOCLSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds5

About N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine

N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine (PubChem CID 97035459) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine
PubChem CID97035459
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine
SMILESCCNCC[C@H]1CCCC[C@H]1OC
InChIInChI=1S/C11H23NO/c1-3-12-9-8-10-6-4-5-7-11(10)13-2/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyWRGMGPCSFCUSTQ-GHMZBOCLSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine?
The IUPAC name of N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine (CID 97035459) is N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine?
The canonical SMILES for N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine is CCNCC[C@H]1CCCC[C@H]1OC.
What is the InChIKey of N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine?
The InChIKey is WRGMGPCSFCUSTQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-12-9-8-10-6-4-5-7-11(10)13-2/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine?
N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine is sourced from PubChem (CID 97035459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).