N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine

C18H38N2O — CID 63692305

IUPACN-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCOCCN(CC)CC1(CNC(C)(C)C)CCCCC1
InChIInChI=1S/C18H38N2O/c1-6-20(13-14-21-7-2)16-18(11-9-8-10-12-18)15-19-17(3,4)5/h19H,6-16H2,1-5H3
InChIKeyHDZWRBKONTZTOX-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.68
Rot. Bonds9

About N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 63692305) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID63692305
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC NameN-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCOCCN(CC)CC1(CNC(C)(C)C)CCCCC1
InChIInChI=1S/C18H38N2O/c1-6-20(13-14-21-7-2)16-18(11-9-8-10-12-18)15-19-17(3,4)5/h19H,6-16H2,1-5H3
InChIKeyHDZWRBKONTZTOX-UHFFFAOYSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.68
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

N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 63692839
N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 63482009
N-[[1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 103984495
[1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol
CID 82941164
N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81063204
N-[[1-[[2-methoxyethyl(propan-2-yl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82941124
N-[[1-[[bis(prop-2-enyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 62264243
2-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl-methylamino]ethanol
CID 62257930
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine
CID 55051857
N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine
CID 62262894
1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 63692113
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N,2-dimethylbutan-2-amine
CID 63964314

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine (CID 63692305) is N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine is CCOCCN(CC)CC1(CNC(C)(C)C)CCCCC1.
What is the InChIKey of N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is HDZWRBKONTZTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-6-20(13-14-21-7-2)16-18(11-9-8-10-12-18)15-19-17(3,4)5/h19H,6-16H2,1-5H3.
What are the key properties of N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 298.51 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63692305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).