tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate

C16H27N3O2 — CID 107249231

IUPACtert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate
SMILESCc1ccncc1CNC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H27N3O2/c1-12-7-8-17-9-13(12)10-19-16(5,6)11-18-14(20)21-15(2,3)4/h7-9,19H,10-11H2,1-6H3,(H,18,20)
InChIKeyUWGFIILJENCFQM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.78
Rot. Bonds5

About tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate

tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate (PubChem CID 107249231) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate
PubChem CID107249231
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nametert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate
SMILESCc1ccncc1CNC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H27N3O2/c1-12-7-8-17-9-13(12)10-19-16(5,6)11-18-14(20)21-15(2,3)4/h7-9,19H,10-11H2,1-6H3,(H,18,20)
InChIKeyUWGFIILJENCFQM-UHFFFAOYSA-N
XLogP2.78
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-methyl-2-[[(4-methyl-3-pyridinyl)methylamino]methyl]butyl]carbamate
CID 107442879
tert-butyl N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103851551
3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide
CID 104580210
tert-butyl N-[4-[(4-methyl-3-pyridinyl)methylamino]butan-2-yl]carbamate
CID 107247056
tert-butyl N-[2-[(2,3-dihydroxyphenyl)methylamino]-2-methylpropyl]carbamate
CID 107249254
tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103851547
tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate
CID 107249252
tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate
CID 165468430
tert-butyl N-[2-[(5-chloro-2-fluorophenyl)methylamino]-2-methylpropyl]carbamate
CID 103844995
tert-butyl N-[2-(4-chloro-3-pyridinyl)ethyl]carbamate
CID 141078611
tert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate
CID 107249153
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]pentan-3-amine
CID 103829141

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate (CID 107249231) is tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate is Cc1ccncc1CNC(C)(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate?
The InChIKey is UWGFIILJENCFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12-7-8-17-9-13(12)10-19-16(5,6)11-18-14(20)21-15(2,3)4/h7-9,19H,10-11H2,1-6H3,(H,18,20).
What are the key properties of tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate?
tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate has a molecular weight of 293.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate is sourced from PubChem (CID 107249231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).