5-(aminomethyl)-1-azabicyclo[4.2.1]nonan-5-ol

C9H18N2O — CID 105434574

IUPAC5-(aminomethyl)-1-azabicyclo[4.2.1]nonan-5-ol
SMILESNCC1(O)CCCN2CCC1C2
InChIInChI=1S/C9H18N2O/c10-7-9(12)3-1-4-11-5-2-8(9)6-11/h8,12H,1-7,10H2
InChIKeyQZSKXDKCZUMZDR-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.21
Rot. Bonds1

About 5-(aminomethyl)-1-azabicyclo[4.2.1]nonan-5-ol

5-(aminomethyl)-1-azabicyclo[4.2.1]nonan-5-ol (PubChem CID 105434574) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-(aminomethyl)-1-azabicyclo[4.2.1]nonan-5-ol.

Molecular Properties

Compound Name5-(aminomethyl)-1-azabicyclo[4.2.1]nonan-5-ol
PubChem CID105434574
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name5-(aminomethyl)-1-azabicyclo[4.2.1]nonan-5-ol
SMILESNCC1(O)CCCN2CCC1C2
InChIInChI=1S/C9H18N2O/c10-7-9(12)3-1-4-11-5-2-8(9)6-11/h8,12H,1-7,10H2
InChIKeyQZSKXDKCZUMZDR-UHFFFAOYSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-azabicyclo[4.2.1]nonan-5-ol?
The IUPAC name of 5-(aminomethyl)-1-azabicyclo[4.2.1]nonan-5-ol (CID 105434574) is 5-(aminomethyl)-1-azabicyclo[4.2.1]nonan-5-ol.
What is the SMILES notation for 5-(aminomethyl)-1-azabicyclo[4.2.1]nonan-5-ol?
The canonical SMILES for 5-(aminomethyl)-1-azabicyclo[4.2.1]nonan-5-ol is NCC1(O)CCCN2CCC1C2.
What is the InChIKey of 5-(aminomethyl)-1-azabicyclo[4.2.1]nonan-5-ol?
The InChIKey is QZSKXDKCZUMZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-7-9(12)3-1-4-11-5-2-8(9)6-11/h8,12H,1-7,10H2.
What are the key properties of 5-(aminomethyl)-1-azabicyclo[4.2.1]nonan-5-ol?
5-(aminomethyl)-1-azabicyclo[4.2.1]nonan-5-ol has a molecular weight of 170.26 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-azabicyclo[4.2.1]nonan-5-ol is sourced from PubChem (CID 105434574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).