2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one

C14H24N2O2 — CID 114247386

IUPAC2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one
SMILESCCC(C)(CN)C(=O)N1CC2CC3CC2C1C3O
InChIInChI=1S/C14H24N2O2/c1-3-14(2,7-15)13(18)16-6-9-4-8-5-10(9)11(16)12(8)17/h8-12,17H,3-7,15H2,1-2H3
InChIKeyVKADGMFPANNLIF-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.59
Rot. Bonds3

About 2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one

2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one (PubChem CID 114247386) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one
PubChem CID114247386
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one
SMILESCCC(C)(CN)C(=O)N1CC2CC3CC2C1C3O
InChIInChI=1S/C14H24N2O2/c1-3-14(2,7-15)13(18)16-6-9-4-8-5-10(9)11(16)12(8)17/h8-12,17H,3-7,15H2,1-2H3
InChIKeyVKADGMFPANNLIF-UHFFFAOYSA-N
XLogP0.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one (CID 114247386) is 2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one is CCC(C)(CN)C(=O)N1CC2CC3CC2C1C3O.
What is the InChIKey of 2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one?
The InChIKey is VKADGMFPANNLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-14(2,7-15)13(18)16-6-9-4-8-5-10(9)11(16)12(8)17/h8-12,17H,3-7,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one?
2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one has a molecular weight of 252.36 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one is sourced from PubChem (CID 114247386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).