N-(2-methoxyethyl)-N-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine

C16H34N2O — CID 82953327

IUPACN-(2-methoxyethyl)-N-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine
SMILESCNCC1(CN(CCOC)C(C)C)CCCC(C)C1
InChIInChI=1S/C16H34N2O/c1-14(2)18(9-10-19-5)13-16(12-17-4)8-6-7-15(3)11-16/h14-15,17H,6-13H2,1-5H3
InChIKeyGEDJSGKAHWBYCZ-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds8

About N-(2-methoxyethyl)-N-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine

N-(2-methoxyethyl)-N-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 82953327) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine
PubChem CID82953327
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-(2-methoxyethyl)-N-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine
SMILESCNCC1(CN(CCOC)C(C)C)CCCC(C)C1
InChIInChI=1S/C16H34N2O/c1-14(2)18(9-10-19-5)13-16(12-17-4)8-6-7-15(3)11-16/h14-15,17H,6-13H2,1-5H3
InChIKeyGEDJSGKAHWBYCZ-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 78871100
2,2,2-trifluoro-N-[[1-[(2-methoxyethylamino)methyl]-3-methylcyclohexyl]methyl]-N-methylethanamine
CID 65918875
2,2-difluoro-N-[[1-[(2-methoxyethylamino)methyl]-3-methylcyclohexyl]methyl]-N-methylethanamine
CID 116317617
(4-Tert-butylcyclohexyl)[3-(4-morpholinyl)propyl]amine
CID 4711869
trans-(1R,5S)-N-[(2S)-1-methoxypropan-2-yl]-3,3,5-trimethylcyclohexan-1-amine
CID 28442900
cis-(1S,5S)-N-[(2S)-1-methoxypropan-2-yl]-3,3,5-trimethylcyclohexan-1-amine
CID 28442904
4-(2-methylbutan-2-yl)-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
CID 29053454
2-tert-butyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
CID 43078689
N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 43177278
N-(1-methoxypropan-2-yl)-3,3,5-trimethylcyclohexan-1-amine
CID 43177929
3,3,5-trimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
CID 43182308
2-(aminomethyl)-5-tert-butyl-N,N-bis(2-methoxyethyl)cyclohexan-1-amine
CID 43588482

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine (CID 82953327) is N-(2-methoxyethyl)-N-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine is CNCC1(CN(CCOC)C(C)C)CCCC(C)C1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is GEDJSGKAHWBYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-14(2)18(9-10-19-5)13-16(12-17-4)8-6-7-15(3)11-16/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-N-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine?
N-(2-methoxyethyl)-N-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 82953327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).