tert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate

C12H18N2O3 — CID 59769540

IUPACtert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate
SMILESCNc1ncccc1COC(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(15)16-8-9-6-5-7-14-10(9)13-4/h5-7H,8H2,1-4H3,(H,13,14)
InChIKeyZUZVPVAUMJRIJD-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.58
Rot. Bonds3

About tert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate

tert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate (PubChem CID 59769540) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate.

Molecular Properties

Compound Nametert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate
PubChem CID59769540
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate
SMILESCNc1ncccc1COC(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(15)16-8-9-6-5-7-14-10(9)13-4/h5-7H,8H2,1-4H3,(H,13,14)
InChIKeyZUZVPVAUMJRIJD-UHFFFAOYSA-N
XLogP2.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methoxymethyl)-N-methylpyridin-2-amine
CID 62464572
3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683
ethene;3-ethyl-N-methylpyridin-2-amine
CID 143712916
3-ethyl-N-methylpyridin-2-amine;molecular hydrogen
CID 177195094
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 174765561
3-[(2-methoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464422
3-[(4-iodophenoxy)methyl]-N-methylpyridin-2-amine
CID 62464965
tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate
CID 90044554
N-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-amine
CID 62464814
N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide
CID 114167721
tert-butyl 3-(hydroxymethyl)pyridine-2-carboxylate
CID 133061351

Frequently Asked Questions

What is the IUPAC name of tert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate?
The IUPAC name of tert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate (CID 59769540) is tert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate.
What is the SMILES notation for tert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate?
The canonical SMILES for tert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate is CNc1ncccc1COC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate?
The InChIKey is ZUZVPVAUMJRIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,3)17-11(15)16-8-9-6-5-7-14-10(9)13-4/h5-7H,8H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate?
tert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate has a molecular weight of 238.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [2-(methylamino)-3-pyridinyl]methyl carbonate is sourced from PubChem (CID 59769540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).