tert-butyl N-methyl-N-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate

C16H24N2O2 — CID 171469689

IUPACtert-butyl N-methyl-N-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate
SMILESCC1CC(CN(C)C(=O)OC(C)(C)C)c2ncccc21
InChIInChI=1S/C16H24N2O2/c1-11-9-12(14-13(11)7-6-8-17-14)10-18(5)15(19)20-16(2,3)4/h6-8,11-12H,9-10H2,1-5H3
InChIKeyGDVDWABSUQYYET-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.54
Rot. Bonds2

About tert-butyl N-methyl-N-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate

tert-butyl N-methyl-N-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate (PubChem CID 171469689) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate
PubChem CID171469689
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl N-methyl-N-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate
SMILESCC1CC(CN(C)C(=O)OC(C)(C)C)c2ncccc21
InChIInChI=1S/C16H24N2O2/c1-11-9-12(14-13(11)7-6-8-17-14)10-18(5)15(19)20-16(2,3)4/h6-8,11-12H,9-10H2,1-5H3
InChIKeyGDVDWABSUQYYET-UHFFFAOYSA-N
XLogP3.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-(2-hydroxyphenyl)cyclopropyl]methyl]-N-methylcarbamate
CID 139469615
tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-methylcarbamate
CID 107245083
tert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate
CID 171469703
tert-butyl N-[[(1S,4S)-4-fluoro-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylcarbamate
CID 140841214
tert-butyl N-ethyl-N-[(6S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]carbamate
CID 177053667
tert-butyl N-[2-[(3-carbamoyl-2-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
CID 141414305
tert-butyl N-[3-(bromomethyl)-2-pyridinyl]-N-methylcarbamate
CID 141274850
tert-butyl N-methyl-N-[(5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl)methyl]carbamate
CID 137477358
4-[5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzoic acid
CID 171496603
tert-butyl N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540859
tert-butyl N-[(8-fluoro-4-hydroxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-N-methylcarbamate
CID 142753049
tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541083

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate (CID 171469689) is tert-butyl N-methyl-N-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate is CC1CC(CN(C)C(=O)OC(C)(C)C)c2ncccc21.
What is the InChIKey of tert-butyl N-methyl-N-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate?
The InChIKey is GDVDWABSUQYYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-9-12(14-13(11)7-6-8-17-14)10-18(5)15(19)20-16(2,3)4/h6-8,11-12H,9-10H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate?
tert-butyl N-methyl-N-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate has a molecular weight of 276.38 g/mol, XLogP of 3.54, 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-[(5-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]carbamate is sourced from PubChem (CID 171469689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).