3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one;hydrochloride

C10H17ClN2O — CID 126809337

IUPAC3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one;hydrochloride
SMILESCC(C)(C)c1ccc(CN)c(=O)[nH]1.Cl
InChIInChI=1S/C10H16N2O.ClH/c1-10(2,3)8-5-4-7(6-11)9(13)12-8;/h4-5H,6,11H2,1-3H3,(H,12,13);1H
InChIKeyUKNJFDAQTWDQQB-UHFFFAOYSA-N
MW216.71 g/mol
LogP1.55
Rot. Bonds1

About 3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one;hydrochloride

3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one;hydrochloride (PubChem CID 126809337) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one;hydrochloride
PubChem CID126809337
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one;hydrochloride
SMILESCC(C)(C)c1ccc(CN)c(=O)[nH]1.Cl
InChIInChI=1S/C10H16N2O.ClH/c1-10(2,3)8-5-4-7(6-11)9(13)12-8;/h4-5H,6,11H2,1-3H3,(H,12,13);1H
InChIKeyUKNJFDAQTWDQQB-UHFFFAOYSA-N
XLogP1.55
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one;hydrochloride (CID 126809337) is 3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one;hydrochloride is CC(C)(C)c1ccc(CN)c(=O)[nH]1.Cl.
What is the InChIKey of 3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one;hydrochloride?
The InChIKey is UKNJFDAQTWDQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.ClH/c1-10(2,3)8-5-4-7(6-11)9(13)12-8;/h4-5H,6,11H2,1-3H3,(H,12,13);1H.
What are the key properties of 3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one;hydrochloride?
3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one;hydrochloride has a molecular weight of 216.71 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 126809337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).