tert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride

C10H19ClN2O2 — CID 170912511

IUPACtert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC=CC(N)C1.Cl
InChIInChI=1S/C10H18N2O2.ClH/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;/h4-5,8H,6-7,11H2,1-3H3;1H
InChIKeyBKMNYRWAWPQHNJ-UHFFFAOYSA-N
MW234.73 g/mol
LogP1.54
Rot. Bonds

About tert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride

tert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride (PubChem CID 170912511) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is tert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride
PubChem CID170912511
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC Nametert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC=CC(N)C1.Cl
InChIInChI=1S/C10H18N2O2.ClH/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;/h4-5,8H,6-7,11H2,1-3H3;1H
InChIKeyBKMNYRWAWPQHNJ-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride (CID 170912511) is tert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CC=CC(N)C1.Cl.
What is the InChIKey of tert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride?
The InChIKey is BKMNYRWAWPQHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.ClH/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;/h4-5,8H,6-7,11H2,1-3H3;1H.
What are the key properties of tert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride?
tert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride has a molecular weight of 234.73 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-3,6-dihydro-2H-pyridine-1-carboxylate;hydrochloride is sourced from PubChem (CID 170912511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).