tert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate

C14H23N3O2 — CID 116861299

IUPACtert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate
SMILESCNC(CN(C)C(=O)OC(C)(C)C)c1cccnc1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17(5)10-12(15-4)11-7-6-8-16-9-11/h6-9,12,15H,10H2,1-5H3
InChIKeyTVIIKYXRVFEJST-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.21
Rot. Bonds4

About tert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate

tert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate (PubChem CID 116861299) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate
PubChem CID116861299
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate
SMILESCNC(CN(C)C(=O)OC(C)(C)C)c1cccnc1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17(5)10-12(15-4)11-7-6-8-16-9-11/h6-9,12,15H,10H2,1-5H3
InChIKeyTVIIKYXRVFEJST-UHFFFAOYSA-N
XLogP2.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-[3-(1-pyridin-3-ylethylamino)propyl]carbamate
CID 103894812
tert-butyl N-[(4S)-4-chloro-4-pyridin-3-ylbutyl]-N-methylcarbamate
CID 163661402
tert-butyl N-methyl-N-[2-(1-pyridin-3-ylethylcarbamoylamino)ethyl]carbamate
CID 56827108
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoic acid
CID 2761784
tert-butyl N-[(4S)-4-chloro-4-pyridin-3-ylbutyl]-N-methylcarbamate;tert-butyl N-[(4S)-4-hydroxy-4-pyridin-3-ylbutyl]-N-methylcarbamate
CID 165093627
tert-butyl N-(2-amino-2-phenylethyl)-N-methylcarbamate
CID 67066123
tert-butyl N-[(1R)-2-nitro-1-pyridin-3-ylethyl]carbamate
CID 101396596
tert-butyl N-[(4S)-4-hydroxy-4-pyridin-3-ylbutyl]-N-methylcarbamate;[(1S)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-pyridin-3-ylbutyl] methanesulfonate
CID 165036661
3-(methylamino)-3-pyridin-3-ylpropan-1-ol
CID 64815324
tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate
CID 103647372
tert-butyl 2-bromo-2-pyridin-3-ylacetate
CID 19746660
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetate
CID 26601141

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate (CID 116861299) is tert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate is CNC(CN(C)C(=O)OC(C)(C)C)c1cccnc1.
What is the InChIKey of tert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate?
The InChIKey is TVIIKYXRVFEJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17(5)10-12(15-4)11-7-6-8-16-9-11/h6-9,12,15H,10H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate?
tert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate has a molecular weight of 265.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate is sourced from PubChem (CID 116861299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).