tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate

C12H19N3O2 — CID 10681361

IUPACtert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)ccc1CN
InChIInChI=1S/C12H19N3O2/c1-8-9(7-13)5-6-10(14-8)15-11(16)17-12(2,3)4/h5-6H,7,13H2,1-4H3,(H,14,15,16)
InChIKeySYJCYUZKILRBSA-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.20
Rot. Bonds2

About tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate

tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate (PubChem CID 10681361) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
PubChem CID10681361
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)ccc1CN
InChIInChI=1S/C12H19N3O2/c1-8-9(7-13)5-6-10(14-8)15-11(16)17-12(2,3)4/h5-6H,7,13H2,1-4H3,(H,14,15,16)
InChIKeySYJCYUZKILRBSA-UHFFFAOYSA-N
XLogP2.20
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate
CID 19358376
tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate
CID 58081341
tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
CID 135132369
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
2-[3-bromo-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetic acid
CID 68842909
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 19349079
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
tert-butyl N-[4-(aminomethyl)-3-chlorophenyl]carbamate
CID 22467470
tert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate
CID 171471952
tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate
CID 140956975
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754
tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
CID 140879192

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate (CID 10681361) is tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate is Cc1nc(NC(=O)OC(C)(C)C)ccc1CN.
What is the InChIKey of tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate?
The InChIKey is SYJCYUZKILRBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-9(7-13)5-6-10(14-8)15-11(16)17-12(2,3)4/h5-6H,7,13H2,1-4H3,(H,14,15,16).
What are the key properties of tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate?
tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate is sourced from PubChem (CID 10681361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).