tert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate

C13H21N3O2 — CID 145198356

IUPACtert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate
SMILESCNCc1ccc(N(C)C(=O)OC(C)(C)C)nc1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16(5)11-7-6-10(8-14-4)9-15-11/h6-7,9,14H,8H2,1-5H3
InChIKeyWPCXSBZKMLUGIO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.17
Rot. Bonds3

About tert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate

tert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate (PubChem CID 145198356) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate
PubChem CID145198356
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nametert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate
SMILESCNCc1ccc(N(C)C(=O)OC(C)(C)C)nc1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16(5)11-7-6-10(8-14-4)9-15-11/h6-7,9,14H,8H2,1-5H3
InChIKeyWPCXSBZKMLUGIO-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630822
2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
CID 80630363
tert-butyl 2-[[5-(methylaminomethyl)-2-pyridinyl]sulfanyl]acetate
CID 116687805
ethyl 3-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]prop-2-enoate
CID 57293438
tert-butyl N-[5-[(3,4-dimethoxyanilino)methyl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 155758538
tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-methylcarbamate
CID 102540702
2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 103103171
N-ethyl-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62280400
tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate
CID 174275722
N,N-diethyl-2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80629963
tert-butyl N-methyl-N-[4-(methylaminooxymethyl)-2-pyridinyl]carbamate
CID 143799585
2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80630228

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate (CID 145198356) is tert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate is CNCc1ccc(N(C)C(=O)OC(C)(C)C)nc1.
What is the InChIKey of tert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate?
The InChIKey is WPCXSBZKMLUGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16(5)11-7-6-10(8-14-4)9-15-11/h6-7,9,14H,8H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate?
tert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 145198356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).