tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate

C10H18N2O2 — CID 146855386

IUPACtert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC=C(N)C1
InChIInChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h5H,4,6-7,11H2,1-3H3
InChIKeySJMMSEKKRGTJSY-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.47
Rot. Bonds

About tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 146855386) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID146855386
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nametert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC=C(N)C1
InChIInChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h5H,4,6-7,11H2,1-3H3
InChIKeySJMMSEKKRGTJSY-UHFFFAOYSA-N
XLogP1.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 5-(2-aminoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 117205667
tert-butyl 5-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162618656
tert-butyl 5-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 141313728
1-O-tert-butyl 5-O-ethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 11379830
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]propanoic acid
CID 117206033
tert-butyl 5-(3-amino-2,6-dimethyl-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 146284987
tert-butyl 3-oxo-6,7-dihydro-2H-1,4-diazepine-1-carboxylate
CID 163971838
tert-butyl 5-(1H-pyrrol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 164584630
tert-butyl 5-pyridazin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 169312691
tert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 175925140
ditert-butyl 6-methylidene-1,4-diazepane-1,4-dicarboxylate
CID 71305475
tert-butyl 3-amino-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 83382871

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate (CID 146855386) is tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCC=C(N)C1.
What is the InChIKey of tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is SJMMSEKKRGTJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h5H,4,6-7,11H2,1-3H3.
What are the key properties of tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 146855386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).