tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate

C17H26N2O2 — CID 107248356

IUPACtert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC1Cc2ccccc2C1
InChIInChI=1S/C17H26N2O2/c1-12(11-18-16(20)21-17(2,3)4)19-15-9-13-7-5-6-8-14(13)10-15/h5-8,12,15,19H,9-11H2,1-4H3,(H,18,20)
InChIKeyGKFCOKMVTXCHOM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.66
Rot. Bonds4

About tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate

tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate (PubChem CID 107248356) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate
PubChem CID107248356
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC1Cc2ccccc2C1
InChIInChI=1S/C17H26N2O2/c1-12(11-18-16(20)21-17(2,3)4)19-15-9-13-7-5-6-8-14(13)10-15/h5-8,12,15,19H,9-11H2,1-4H3,(H,18,20)
InChIKeyGKFCOKMVTXCHOM-UHFFFAOYSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103387396
tert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate
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tert-butyl N-[(2R)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 97354698
tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate
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tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate
CID 107248120
ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate
CID 114009131
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248139
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93092975
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate
CID 103389357

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate (CID 107248356) is tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NC1Cc2ccccc2C1.
What is the InChIKey of tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate?
The InChIKey is GKFCOKMVTXCHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(11-18-16(20)21-17(2,3)4)19-15-9-13-7-5-6-8-14(13)10-15/h5-8,12,15,19H,9-11H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate?
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate has a molecular weight of 290.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate is sourced from PubChem (CID 107248356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).