2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine

C13H27NO — CID 143486770

IUPAC2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine
SMILESCCC1CCC(OCCNC)CC1CC
InChIInChI=1S/C13H27NO/c1-4-11-6-7-13(10-12(11)5-2)15-9-8-14-3/h11-14H,4-10H2,1-3H3
InChIKeyJGRPXOSORLDTGB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

About 2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine

2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine (PubChem CID 143486770) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine
PubChem CID143486770
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine
SMILESCCC1CCC(OCCNC)CC1CC
InChIInChI=1S/C13H27NO/c1-4-11-6-7-13(10-12(11)5-2)15-9-8-14-3/h11-14H,4-10H2,1-3H3
InChIKeyJGRPXOSORLDTGB-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine 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 2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine?
The IUPAC name of 2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine (CID 143486770) is 2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine.
What is the SMILES notation for 2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine?
The canonical SMILES for 2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine is CCC1CCC(OCCNC)CC1CC.
What is the InChIKey of 2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine?
The InChIKey is JGRPXOSORLDTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-11-6-7-13(10-12(11)5-2)15-9-8-14-3/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine?
2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine is sourced from PubChem (CID 143486770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).