3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine

C14H27NO2 — CID 62583661

IUPAC3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCOC2CCOCC2)C1
InChIInChI=1S/C14H27NO2/c1-12-3-2-4-13(11-12)15-7-10-17-14-5-8-16-9-6-14/h12-15H,2-11H2,1H3
InChIKeyYSRJSHQHIBBUGI-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds5

About 3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine

3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine (PubChem CID 62583661) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine
PubChem CID62583661
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCOC2CCOCC2)C1
InChIInChI=1S/C14H27NO2/c1-12-3-2-4-13(11-12)15-7-10-17-14-5-8-16-9-6-14/h12-15H,2-11H2,1H3
InChIKeyYSRJSHQHIBBUGI-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-cycloheptyloxyethyl)-3-methylcyclohexan-1-amine
CID 62585347
N-(2-cyclopentyloxyethyl)oxan-4-amine
CID 63099341
N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine
CID 62584943
trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine
CID 93051534
3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 61483630
N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine
CID 62597448
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900
N-(2-butoxyethyl)-3-methylcyclohexan-1-amine
CID 61171817
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine
CID 64501250
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
N-(2-cycloheptyloxyethyl)-4-methylcyclohexan-1-amine
CID 62583471

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine (CID 62583661) is 3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine is CC1CCCC(NCCOC2CCOCC2)C1.
What is the InChIKey of 3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine?
The InChIKey is YSRJSHQHIBBUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12-3-2-4-13(11-12)15-7-10-17-14-5-8-16-9-6-14/h12-15H,2-11H2,1H3.
What are the key properties of 3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine?
3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 62583661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).