N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine

C16H33NO2 — CID 55036396

IUPACN-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCOCCOC1(CNC(C)(C)C)CCCC(C)C1
InChIInChI=1S/C16H33NO2/c1-6-18-10-11-19-16(13-17-15(3,4)5)9-7-8-14(2)12-16/h14,17H,6-13H2,1-5H3
InChIKeyMAQFCPLYIDNZFO-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.38
Rot. Bonds7

About N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine

N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 55036396) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID55036396
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC NameN-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCOCCOC1(CNC(C)(C)C)CCCC(C)C1
InChIInChI=1S/C16H33NO2/c1-6-18-10-11-19-16(13-17-15(3,4)5)9-7-8-14(2)12-16/h14,17H,6-13H2,1-5H3
InChIKeyMAQFCPLYIDNZFO-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-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-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 62110767
N-[[1-[2-(2-methoxyethoxy)ethoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 104565665
2-methyl-N-[[3-methyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
CID 62110273
N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine
CID 103180376
N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81063204
N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine
CID 115942700
N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62109080
2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107466
N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
CID 82956772
N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine
CID 62109925
N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 106205092
N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine
CID 82958153

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 55036396) is N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine is CCOCCOC1(CNC(C)(C)C)CCCC(C)C1.
What is the InChIKey of N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is MAQFCPLYIDNZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-6-18-10-11-19-16(13-17-15(3,4)5)9-7-8-14(2)12-16/h14,17H,6-13H2,1-5H3.
What are the key properties of N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 271.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55036396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).