3-(aminomethyl)-1-azabicyclo[3.2.1]octan-3-ol

C8H16N2O — CID 105430555

IUPAC3-(aminomethyl)-1-azabicyclo[3.2.1]octan-3-ol
SMILESNCC1(O)CC2CCN(C2)C1
InChIInChI=1S/C8H16N2O/c9-5-8(11)3-7-1-2-10(4-7)6-8/h7,11H,1-6,9H2
InChIKeyMIOBJRFBVHEPLS-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.60
Rot. Bonds1

About 3-(aminomethyl)-1-azabicyclo[3.2.1]octan-3-ol

3-(aminomethyl)-1-azabicyclo[3.2.1]octan-3-ol (PubChem CID 105430555) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(aminomethyl)-1-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-azabicyclo[3.2.1]octan-3-ol
PubChem CID105430555
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(aminomethyl)-1-azabicyclo[3.2.1]octan-3-ol
SMILESNCC1(O)CC2CCN(C2)C1
InChIInChI=1S/C8H16N2O/c9-5-8(11)3-7-1-2-10(4-7)6-8/h7,11H,1-6,9H2
InChIKeyMIOBJRFBVHEPLS-UHFFFAOYSA-N
XLogP-0.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-1-azabicyclo[3.2.1]octan-3-ol
CID 105434577
3-(2-aminoethyl)-1-azabicyclo[3.3.1]nonan-3-ol
CID 165445184
(3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 105431020
3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride
CID 70654199
3-(2-aminoethyl)-1-azabicyclo[2.2.1]heptan-3-ol
CID 105430552
(3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride
CID 66724726
3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol
CID 115013788
1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cycloheptan-1-ol
CID 60899990
1-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cyclohexan-1-ol
CID 60900375
4-amino-1-(aminomethyl)cyclohexan-1-ol
CID 105428674
methyl 4-amino-1-azabicyclo[4.2.1]nonane-4-carboxylate
CID 105451564
(3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol
CID 130891891

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(aminomethyl)-1-azabicyclo[3.2.1]octan-3-ol (CID 105430555) is 3-(aminomethyl)-1-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-1-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(aminomethyl)-1-azabicyclo[3.2.1]octan-3-ol is NCC1(O)CC2CCN(C2)C1.
What is the InChIKey of 3-(aminomethyl)-1-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is MIOBJRFBVHEPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-5-8(11)3-7-1-2-10(4-7)6-8/h7,11H,1-6,9H2.
What are the key properties of 3-(aminomethyl)-1-azabicyclo[3.2.1]octan-3-ol?
3-(aminomethyl)-1-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 156.23 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 105430555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).