N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine

C13H28N2O3 — CID 55067149

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)CC1(CN)CCOCC1
InChIInChI=1S/C13H28N2O3/c1-16-9-5-15(6-10-17-2)12-13(11-14)3-7-18-8-4-13/h3-12,14H2,1-2H3
InChIKeyVVRGDYHHGSJRCB-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.34
Rot. Bonds9

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine (PubChem CID 55067149) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
PubChem CID55067149
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)CC1(CN)CCOCC1
InChIInChI=1S/C13H28N2O3/c1-16-9-5-15(6-10-17-2)12-13(11-14)3-7-18-8-4-13/h3-12,14H2,1-2H3
InChIKeyVVRGDYHHGSJRCB-UHFFFAOYSA-N
XLogP0.34
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-((Dimethylamino)methyl)oxan-4-yl)methanamine dihydrochloride
CID 138987893
(5R)-2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine
CID 129231197
1-{4-[(Dimethylamino)methyl]oxan-4-yl}methanamine
CID 62390590
[4-(Methylaminomethyl)oxan-4-yl]methanamine
CID 115440031
2-Propan-2-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine
CID 129231152
(5R)-2-butan-2-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine
CID 129237414
2-[(3S)-4-methylmorpholin-3-yl]butan-1-amine
CID 156300290
(5R)-2-ethyl-7-oxa-2-azaspiro[3.5]nonan-5-amine
CID 156829554
(5R)-2-butyl-7-oxa-2-azaspiro[3.5]nonan-5-amine
CID 166705893
4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine
CID 54985666
2-ethyl-2-(morpholin-4-ylmethyl)-N-propylbutan-1-amine
CID 55051993
N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]pentan-1-amine
CID 55065945

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine (CID 55067149) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine is COCCN(CCOC)CC1(CN)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The InChIKey is VVRGDYHHGSJRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-16-9-5-15(6-10-17-2)12-13(11-14)3-7-18-8-4-13/h3-12,14H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine has a molecular weight of 260.38 g/mol, XLogP of 0.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 55067149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).