tert-butyl N-methyl-N-[2-(1-methyl-2H-pyridin-4-yl)ethyl]carbamate

C14H24N2O2 — CID 22451910

IUPACtert-butyl N-methyl-N-[2-(1-methyl-2H-pyridin-4-yl)ethyl]carbamate
SMILESCN1C=CC(CCN(C)C(=O)OC(C)(C)C)=CC1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)18-13(17)16(5)11-8-12-6-9-15(4)10-7-12/h6-7,9H,8,10-11H2,1-5H3
InChIKeyCFLNXXWDBWWKGS-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl N-methyl-N-[2-(1-methyl-2H-pyridin-4-yl)ethyl]carbamate

tert-butyl N-methyl-N-[2-(1-methyl-2H-pyridin-4-yl)ethyl]carbamate (PubChem CID 22451910) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(1-methyl-2H-pyridin-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(1-methyl-2H-pyridin-4-yl)ethyl]carbamate
PubChem CID22451910
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nametert-butyl N-methyl-N-[2-(1-methyl-2H-pyridin-4-yl)ethyl]carbamate
SMILESCN1C=CC(CCN(C)C(=O)OC(C)(C)C)=CC1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)18-13(17)16(5)11-8-12-6-9-15(4)10-7-12/h6-7,9H,8,10-11H2,1-5H3
InChIKeyCFLNXXWDBWWKGS-UHFFFAOYSA-N
XLogP2.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(1-methyl-2H-pyridin-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(1-methyl-2H-pyridin-4-yl)ethyl]carbamate (CID 22451910) is tert-butyl N-methyl-N-[2-(1-methyl-2H-pyridin-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(1-methyl-2H-pyridin-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(1-methyl-2H-pyridin-4-yl)ethyl]carbamate is CN1C=CC(CCN(C)C(=O)OC(C)(C)C)=CC1.
What is the InChIKey of tert-butyl N-methyl-N-[2-(1-methyl-2H-pyridin-4-yl)ethyl]carbamate?
The InChIKey is CFLNXXWDBWWKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,3)18-13(17)16(5)11-8-12-6-9-15(4)10-7-12/h6-7,9H,8,10-11H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-(1-methyl-2H-pyridin-4-yl)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(1-methyl-2H-pyridin-4-yl)ethyl]carbamate has a molecular weight of 252.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(1-methyl-2H-pyridin-4-yl)ethyl]carbamate is sourced from PubChem (CID 22451910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).