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

C18H38N2O — CID 81063204

IUPACN-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCOCCN(C)CC1(CNC(C)(C)C)CCCC(C)C1
InChIInChI=1S/C18H38N2O/c1-7-21-12-11-20(6)15-18(14-19-17(3,4)5)10-8-9-16(2)13-18/h16,19H,7-15H2,1-6H3
InChIKeyUSXWEDJZYDFGCI-UHFFFAOYSA-N
MW298.52 g/mol
LogP3.54
Rot. Bonds8

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

N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81063204) has the molecular formula C18H38N2O and a molecular weight of 298.52 g/mol. Its IUPAC name is N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81063204
Molecular FormulaC18H38N2O
Molecular Weight298.52 g/mol
Exact Mass298.30
IUPAC NameN-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCOCCN(C)CC1(CNC(C)(C)C)CCCC(C)C1
InChIInChI=1S/C18H38N2O/c1-7-21-12-11-20(6)15-18(14-19-17(3,4)5)10-8-9-16(2)13-18/h16,19H,7-15H2,1-6H3
InChIKeyUSXWEDJZYDFGCI-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 81074798
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 55036396
N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine
CID 81073788
N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
CID 81074314
N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63692305
[3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol
CID 81074444
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine
CID 55051857
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine
CID 81062701
N-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 112664702
2-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl-methylamino]ethanol
CID 62257930
N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699316
2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
CID 81074952

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 81063204) is N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine is CCOCCN(C)CC1(CNC(C)(C)C)CCCC(C)C1.
What is the InChIKey of N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is USXWEDJZYDFGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-7-21-12-11-20(6)15-18(14-19-17(3,4)5)10-8-9-16(2)13-18/h16,19H,7-15H2,1-6H3.
What are the key properties of N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 298.52 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81063204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).