3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol

C13H26N2O — CID 106811259

IUPAC3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol
SMILESCCC(O)(CN)CCCN1CC2CCC1C2
InChIInChI=1S/C13H26N2O/c1-2-13(16,10-14)6-3-7-15-9-11-4-5-12(15)8-11/h11-12,16H,2-10,14H2,1H3
InChIKeyNLBFVVLEHXWPOI-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.35
Rot. Bonds6

About 3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol

3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol (PubChem CID 106811259) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol
PubChem CID106811259
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol
SMILESCCC(O)(CN)CCCN1CC2CCC1C2
InChIInChI=1S/C13H26N2O/c1-2-13(16,10-14)6-3-7-15-9-11-4-5-12(15)8-11/h11-12,16H,2-10,14H2,1H3
InChIKeyNLBFVVLEHXWPOI-UHFFFAOYSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol (CID 106811259) is 3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol is CCC(O)(CN)CCCN1CC2CCC1C2.
What is the InChIKey of 3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol?
The InChIKey is NLBFVVLEHXWPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-13(16,10-14)6-3-7-15-9-11-4-5-12(15)8-11/h11-12,16H,2-10,14H2,1H3.
What are the key properties of 3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol?
3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol has a molecular weight of 226.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol is sourced from PubChem (CID 106811259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).