tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate

C14H23N3O2 — CID 115748753

IUPACtert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate
SMILESCc1ccc(NCCNC(=O)OC(C)(C)C)c(C)n1
InChIInChI=1S/C14H23N3O2/c1-10-6-7-12(11(2)17-10)15-8-9-16-13(18)19-14(3,4)5/h6-7,15H,8-9H2,1-5H3,(H,16,18)
InChIKeyJSJLIKKHPLVSSZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.64
Rot. Bonds4

About tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate

tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate (PubChem CID 115748753) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate
PubChem CID115748753
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate
SMILESCc1ccc(NCCNC(=O)OC(C)(C)C)c(C)n1
InChIInChI=1S/C14H23N3O2/c1-10-6-7-12(11(2)17-10)15-8-9-16-13(18)19-14(3,4)5/h6-7,15H,8-9H2,1-5H3,(H,16,18)
InChIKeyJSJLIKKHPLVSSZ-UHFFFAOYSA-N
XLogP2.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane
CID 142077539
tert-butyl N-[2-(3-chloro-2-methylanilino)ethyl]carbamate
CID 112702215
methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 103879996
tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
CID 103917430
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
tert-butyl N-[2-(2-amino-5-methylsulfanylanilino)ethyl]carbamate
CID 59345536
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic acid
CID 114518113
tert-butyl N-[2-[(8-aminoisoquinolin-5-yl)amino]ethyl]carbamate
CID 104932926
tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate
CID 115611755
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate (CID 115748753) is tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate is Cc1ccc(NCCNC(=O)OC(C)(C)C)c(C)n1.
What is the InChIKey of tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate?
The InChIKey is JSJLIKKHPLVSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-6-7-12(11(2)17-10)15-8-9-16-13(18)19-14(3,4)5/h6-7,15H,8-9H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate has a molecular weight of 265.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]carbamate is sourced from PubChem (CID 115748753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).