[1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C12H20N2O2 — CID 80599028

IUPAC[1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNCC1(C(=O)N2C3CCC2CC(O)C3)CC1
InChIInChI=1S/C12H20N2O2/c13-7-12(3-4-12)11(16)14-8-1-2-9(14)6-10(15)5-8/h8-10,15H,1-7,13H2
InChIKeyVLUAZNBHGYTYEI-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.24
Rot. Bonds2

About [1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

[1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 80599028) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID80599028
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name[1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNCC1(C(=O)N2C3CCC2CC(O)C3)CC1
InChIInChI=1S/C12H20N2O2/c13-7-12(3-4-12)11(16)14-8-1-2-9(14)6-10(15)5-8/h8-10,15H,1-7,13H2
InChIKeyVLUAZNBHGYTYEI-UHFFFAOYSA-N
XLogP0.24
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 80599028) is [1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is NCC1(C(=O)N2C3CCC2CC(O)C3)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is VLUAZNBHGYTYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-7-12(3-4-12)11(16)14-8-1-2-9(14)6-10(15)5-8/h8-10,15H,1-7,13H2.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
[1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 224.30 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 80599028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).