tert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate

C17H29N3O3 — CID 103527227

IUPACtert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate
SMILESCOc1cccc(CNCC(C)CN(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C17H29N3O3/c1-13(12-20(5)16(21)23-17(2,3)4)10-18-11-14-8-7-9-15(19-14)22-6/h7-9,13,18H,10-12H2,1-6H3
InChIKeyRRZLLONTYDBMQP-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.68
Rot. Bonds7

About tert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate

tert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate (PubChem CID 103527227) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is tert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate
PubChem CID103527227
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Nametert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate
SMILESCOc1cccc(CNCC(C)CN(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C17H29N3O3/c1-13(12-20(5)16(21)23-17(2,3)4)10-18-11-14-8-7-9-15(19-14)22-6/h7-9,13,18H,10-12H2,1-6H3
InChIKeyRRZLLONTYDBMQP-UHFFFAOYSA-N
XLogP2.68
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate
CID 107246776
tert-butyl N-[3-[(2-cyanophenyl)methylamino]-2-methylpropyl]-N-methylcarbamate
CID 103851687
tert-butyl N-[3-[(2-bromo-5-methoxyphenyl)methylamino]-2-methylpropyl]-N-methylcarbamate
CID 114077661
tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 104624594
tert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate
CID 99800104
tert-butyl N-[3-[[N-[(2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-2-methylpropyl]-N-methylcarbamate;hydroiodide
CID 111783622
3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile
CID 103347709
3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea
CID 83121386
N'-[(6-methoxy-2-pyridinyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 63991759
methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate
CID 63986668
tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 107442955
tert-butyl N-[(6-chloro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133058135

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate (CID 103527227) is tert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate is COc1cccc(CNCC(C)CN(C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate?
The InChIKey is RRZLLONTYDBMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-13(12-20(5)16(21)23-17(2,3)4)10-18-11-14-8-7-9-15(19-14)22-6/h7-9,13,18H,10-12H2,1-6H3.
What are the key properties of tert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate?
tert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate has a molecular weight of 323.44 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate is sourced from PubChem (CID 103527227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).