tert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate

C14H20N2O2 — CID 151516275

IUPACtert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1(c2cccnc2)CC1
InChIInChI=1S/C14H20N2O2/c1-13(2,3)18-12(17)16(4)14(7-8-14)11-6-5-9-15-10-11/h5-6,9-10H,7-8H2,1-4H3
InChIKeyPTNJBUMXASELIM-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.94
Rot. Bonds2

About tert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate

tert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate (PubChem CID 151516275) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate
PubChem CID151516275
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nametert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1(c2cccnc2)CC1
InChIInChI=1S/C14H20N2O2/c1-13(2,3)18-12(17)16(4)14(7-8-14)11-6-5-9-15-10-11/h5-6,9-10H,7-8H2,1-4H3
InChIKeyPTNJBUMXASELIM-UHFFFAOYSA-N
XLogP2.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.94
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-(1-pyridin-3-ylcyclopropyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate (CID 151516275) is tert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate is CN(C(=O)OC(C)(C)C)C1(c2cccnc2)CC1.
What is the InChIKey of tert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate?
The InChIKey is PTNJBUMXASELIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-13(2,3)18-12(17)16(4)14(7-8-14)11-6-5-9-15-10-11/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate?
tert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.94, 2 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-(1-pyridin-3-ylcyclopropyl)carbamate is sourced from PubChem (CID 151516275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).