N-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine

C17H34N2O2 — CID 62392364

IUPACN-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCC1COCCN1CC1(CNCC(C)C)CCOCC1
InChIInChI=1S/C17H34N2O2/c1-4-16-12-21-10-7-19(16)14-17(5-8-20-9-6-17)13-18-11-15(2)3/h15-16,18H,4-14H2,1-3H3
InChIKeyJHTIAHJLHAUBRT-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.14
Rot. Bonds7

About N-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine

N-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62392364) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID62392364
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCC1COCCN1CC1(CNCC(C)C)CCOCC1
InChIInChI=1S/C17H34N2O2/c1-4-16-12-21-10-7-19(16)14-17(5-8-20-9-6-17)13-18-11-15(2)3/h15-16,18H,4-14H2,1-3H3
InChIKeyJHTIAHJLHAUBRT-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 104691962
N-[[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62258812
4-[(3-ethylmorpholin-4-yl)methyl]oxane-4-carbaldehyde
CID 62392827
4-[[1-(bromomethyl)cyclobutyl]methyl]-3-ethylmorpholine
CID 65009677
1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol
CID 106674199
3-ethyl-4-[(1-fluorocyclopropyl)methyl]morpholine
CID 131155594
2-methyl-N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-1-amine
CID 62905571
N-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine
CID 62561761
1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62392836
3-ethyl-4-[(3-propylpiperidin-3-yl)methyl]morpholine
CID 63132742
1-[(3-ethylmorpholin-4-yl)methyl]cyclohexan-1-amine
CID 43613342
N-[[4-(2-ethoxyethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 55136279

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine (CID 62392364) is N-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine is CCC1COCCN1CC1(CNCC(C)C)CCOCC1.
What is the InChIKey of N-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is JHTIAHJLHAUBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-4-16-12-21-10-7-19(16)14-17(5-8-20-9-6-17)13-18-11-15(2)3/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine?
N-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 298.47 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62392364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).