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

C15H26N2O2 — CID 55237424

IUPAC[3-(aminomethyl)cyclohexyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNCC1CCCC(C(=O)N2C3CCC2CC(O)C3)C1
InChIInChI=1S/C15H26N2O2/c16-9-10-2-1-3-11(6-10)15(19)17-12-4-5-13(17)8-14(18)7-12/h10-14,18H,1-9,16H2
InChIKeyWLMZNRURHLNJOK-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.27
Rot. Bonds2

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

[3-(aminomethyl)cyclohexyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 55237424) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is [3-(aminomethyl)cyclohexyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)cyclohexyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID55237424
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name[3-(aminomethyl)cyclohexyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNCC1CCCC(C(=O)N2C3CCC2CC(O)C3)C1
InChIInChI=1S/C15H26N2O2/c16-9-10-2-1-3-11(6-10)15(19)17-12-4-5-13(17)8-14(18)7-12/h10-14,18H,1-9,16H2
InChIKeyWLMZNRURHLNJOK-UHFFFAOYSA-N
XLogP1.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)cyclohexyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of [3-(aminomethyl)cyclohexyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 55237424) is [3-(aminomethyl)cyclohexyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)cyclohexyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for [3-(aminomethyl)cyclohexyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is NCC1CCCC(C(=O)N2C3CCC2CC(O)C3)C1.
What is the InChIKey of [3-(aminomethyl)cyclohexyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is WLMZNRURHLNJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c16-9-10-2-1-3-11(6-10)15(19)17-12-4-5-13(17)8-14(18)7-12/h10-14,18H,1-9,16H2.
What are the key properties of [3-(aminomethyl)cyclohexyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
[3-(aminomethyl)cyclohexyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 266.38 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)cyclohexyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 55237424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).