3-[2-(aminomethyl)-6-azabicyclo[3.2.1]octan-6-yl]propane-1,2-diol

C11H22N2O2 — CID 117050882

IUPAC3-[2-(aminomethyl)-6-azabicyclo[3.2.1]octan-6-yl]propane-1,2-diol
SMILESNCC1CCC2CC1CN2CC(O)CO
InChIInChI=1S/C11H22N2O2/c12-4-8-1-2-10-3-9(8)5-13(10)6-11(15)7-14/h8-11,14-15H,1-7,12H2
InChIKeyJQEJIHWBUGEJAY-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.60
Rot. Bonds4

About 3-[2-(aminomethyl)-6-azabicyclo[3.2.1]octan-6-yl]propane-1,2-diol

3-[2-(aminomethyl)-6-azabicyclo[3.2.1]octan-6-yl]propane-1,2-diol (PubChem CID 117050882) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-6-azabicyclo[3.2.1]octan-6-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(aminomethyl)-6-azabicyclo[3.2.1]octan-6-yl]propane-1,2-diol
PubChem CID117050882
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[2-(aminomethyl)-6-azabicyclo[3.2.1]octan-6-yl]propane-1,2-diol
SMILESNCC1CCC2CC1CN2CC(O)CO
InChIInChI=1S/C11H22N2O2/c12-4-8-1-2-10-3-9(8)5-13(10)6-11(15)7-14/h8-11,14-15H,1-7,12H2
InChIKeyJQEJIHWBUGEJAY-UHFFFAOYSA-N
XLogP-0.60
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-diazabicyclo[3.2.2]nonan-6-yl)propane-1,2-diol
CID 117050387
(2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine
CID 117050508
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoropropan-2-ol
CID 131005722
3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol
CID 103353189
2-(2,3-dihydroxypropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895475
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-bromopropan-2-ol
CID 112561422
1-(2,3-dihydroxypropyl)aziridine-2-carboxamide
CID 142680209
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propane-1,2-diol
CID 115773027
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol
CID 63930034
1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol
CID 130860086
1-(2,3-dihydroxypropyl)-6-methylpiperidine-3-carboxamide
CID 82849638
ethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate
CID 117050827

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-6-azabicyclo[3.2.1]octan-6-yl]propane-1,2-diol?
The IUPAC name of 3-[2-(aminomethyl)-6-azabicyclo[3.2.1]octan-6-yl]propane-1,2-diol (CID 117050882) is 3-[2-(aminomethyl)-6-azabicyclo[3.2.1]octan-6-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-(aminomethyl)-6-azabicyclo[3.2.1]octan-6-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-(aminomethyl)-6-azabicyclo[3.2.1]octan-6-yl]propane-1,2-diol is NCC1CCC2CC1CN2CC(O)CO.
What is the InChIKey of 3-[2-(aminomethyl)-6-azabicyclo[3.2.1]octan-6-yl]propane-1,2-diol?
The InChIKey is JQEJIHWBUGEJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c12-4-8-1-2-10-3-9(8)5-13(10)6-11(15)7-14/h8-11,14-15H,1-7,12H2.
What are the key properties of 3-[2-(aminomethyl)-6-azabicyclo[3.2.1]octan-6-yl]propane-1,2-diol?
3-[2-(aminomethyl)-6-azabicyclo[3.2.1]octan-6-yl]propane-1,2-diol has a molecular weight of 214.31 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-6-azabicyclo[3.2.1]octan-6-yl]propane-1,2-diol is sourced from PubChem (CID 117050882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).