tert-butyl N-methyl-N-(3-methyl-1,2,3a,4-tetrahydroindol-3-yl)carbamate

C15H24N2O2 — CID 152560784

IUPACtert-butyl N-methyl-N-(3-methyl-1,2,3a,4-tetrahydroindol-3-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1(C)CNC2=CC=CCC21
InChIInChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17(5)15(4)10-16-12-9-7-6-8-11(12)15/h6-7,9,11,16H,8,10H2,1-5H3
InChIKeyYPLJGNPEFVPKBV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.68
Rot. Bonds1

About tert-butyl N-methyl-N-(3-methyl-1,2,3a,4-tetrahydroindol-3-yl)carbamate

tert-butyl N-methyl-N-(3-methyl-1,2,3a,4-tetrahydroindol-3-yl)carbamate (PubChem CID 152560784) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(3-methyl-1,2,3a,4-tetrahydroindol-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(3-methyl-1,2,3a,4-tetrahydroindol-3-yl)carbamate
PubChem CID152560784
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl N-methyl-N-(3-methyl-1,2,3a,4-tetrahydroindol-3-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1(C)CNC2=CC=CCC21
InChIInChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17(5)15(4)10-16-12-9-7-6-8-11(12)15/h6-7,9,11,16H,8,10H2,1-5H3
InChIKeyYPLJGNPEFVPKBV-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]bicyclo[1.1.1]pentane-1-carboxylic acid
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tert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(3-methyl-1,2,3a,4-tetrahydroindol-3-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(3-methyl-1,2,3a,4-tetrahydroindol-3-yl)carbamate (CID 152560784) is tert-butyl N-methyl-N-(3-methyl-1,2,3a,4-tetrahydroindol-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(3-methyl-1,2,3a,4-tetrahydroindol-3-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(3-methyl-1,2,3a,4-tetrahydroindol-3-yl)carbamate is CN(C(=O)OC(C)(C)C)C1(C)CNC2=CC=CCC21.
What is the InChIKey of tert-butyl N-methyl-N-(3-methyl-1,2,3a,4-tetrahydroindol-3-yl)carbamate?
The InChIKey is YPLJGNPEFVPKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17(5)15(4)10-16-12-9-7-6-8-11(12)15/h6-7,9,11,16H,8,10H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-(3-methyl-1,2,3a,4-tetrahydroindol-3-yl)carbamate?
tert-butyl N-methyl-N-(3-methyl-1,2,3a,4-tetrahydroindol-3-yl)carbamate has a molecular weight of 264.37 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(3-methyl-1,2,3a,4-tetrahydroindol-3-yl)carbamate is sourced from PubChem (CID 152560784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).