3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol

C10H22N2O3 — CID 114782390

IUPAC3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol
SMILESCC1(C)CN(CC(O)CO)CC(CN)O1
InChIInChI=1S/C10H22N2O3/c1-10(2)7-12(4-8(14)6-13)5-9(3-11)15-10/h8-9,13-14H,3-7,11H2,1-2H3
InChIKeyOTYDIJUQWKQLBJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP-1.22
Rot. Bonds4

About 3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol

3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol (PubChem CID 114782390) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol
PubChem CID114782390
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol
SMILESCC1(C)CN(CC(O)CO)CC(CN)O1
InChIInChI=1S/C10H22N2O3/c1-10(2)7-12(4-8(14)6-13)5-9(3-11)15-10/h8-9,13-14H,3-7,11H2,1-2H3
InChIKeyOTYDIJUQWKQLBJ-UHFFFAOYSA-N
XLogP-1.22
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-2-ol
CID 106932913
1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114776470
[6,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]morpholin-2-yl]methanamine
CID 114782508
[4-(2-aminoethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776413
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-(3-methylbutyl)acetamide
CID 114782492
2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide
CID 114782398
2-amino-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-ol
CID 64789370
6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine
CID 114780738
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 114782099
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554
[6,6-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholin-2-yl]methanamine
CID 107914161

Frequently Asked Questions

What is the IUPAC name of 3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol?
The IUPAC name of 3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol (CID 114782390) is 3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol.
What is the SMILES notation for 3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol?
The canonical SMILES for 3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol is CC1(C)CN(CC(O)CO)CC(CN)O1.
What is the InChIKey of 3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol?
The InChIKey is OTYDIJUQWKQLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-10(2)7-12(4-8(14)6-13)5-9(3-11)15-10/h8-9,13-14H,3-7,11H2,1-2H3.
What are the key properties of 3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol?
3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol has a molecular weight of 218.30 g/mol, XLogP of -1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol is sourced from PubChem (CID 114782390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).