tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate

C16H27N3O3 — CID 104624594

IUPACtert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate
SMILESCOc1cccc(CNCC(C)(C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C16H27N3O3/c1-15(2,3)22-14(20)19-16(4,5)11-17-10-12-8-7-9-13(18-12)21-6/h7-9,17H,10-11H2,1-6H3,(H,19,20)
InChIKeyVGRJTANRZCYLHM-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.48
Rot. Bonds6

About tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate (PubChem CID 104624594) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate
PubChem CID104624594
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Nametert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate
SMILESCOc1cccc(CNCC(C)(C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C16H27N3O3/c1-15(2,3)22-14(20)19-16(4,5)11-17-10-12-8-7-9-13(18-12)21-6/h7-9,17H,10-11H2,1-6H3,(H,19,20)
InChIKeyVGRJTANRZCYLHM-UHFFFAOYSA-N
XLogP2.48
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103740278
tert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate
CID 103527227
N'-[(6-methoxy-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 63991759
3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea
CID 83121386
tert-butyl N-[1-[(2-aminophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249937
tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
4-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]methyl]benzoic acid
CID 107249964
tert-butyl N-[1-[(2-hydroxy-4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103740311
tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103740263
tert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103761977
1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 65026847
tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate
CID 103740257

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate (CID 104624594) is tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate is COc1cccc(CNCC(C)(C)NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate?
The InChIKey is VGRJTANRZCYLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-15(2,3)22-14(20)19-16(4,5)11-17-10-12-8-7-9-13(18-12)21-6/h7-9,17H,10-11H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate has a molecular weight of 309.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 104624594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).