tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate

C13H21N3O2 — CID 178156276

IUPACtert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
SMILESCN(C)Cc1cccc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)15-11-8-6-7-10(14-11)9-16(4)5/h6-8H,9H2,1-5H3,(H,14,15,17)
InChIKeyJZFHPXVQQHUROZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.49
Rot. Bonds3

About tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate

tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate (PubChem CID 178156276) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
PubChem CID178156276
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nametert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
SMILESCN(C)Cc1cccc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)15-11-8-6-7-10(14-11)9-16(4)5/h6-8H,9H2,1-5H3,(H,14,15,17)
InChIKeyJZFHPXVQQHUROZ-UHFFFAOYSA-N
XLogP2.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
CID 140879192
tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate
CID 166911253
tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
CID 67025080
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 19349079
tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate
CID 24763845
tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate
CID 175684385
tert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane
CID 167458764
tert-butyl N-[6-[methyl-[2-(prop-2-enoylamino)ethyl]amino]-2-pyridinyl]carbamate
CID 118116622
tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
CID 10681361
tert-butyl N-[(6-chloro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133058135
tert-butyl 2-[[6-[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 91140036

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate (CID 178156276) is tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate is CN(C)Cc1cccc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate?
The InChIKey is JZFHPXVQQHUROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)15-11-8-6-7-10(14-11)9-16(4)5/h6-8H,9H2,1-5H3,(H,14,15,17).
What are the key properties of tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate?
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 178156276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).