tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate

C19H30N2O2 — CID 107250248

IUPACtert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate
SMILESCCC(CNC1CCc2ccc(C)cc21)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-6-15(21-18(22)23-19(3,4)5)12-20-17-10-9-14-8-7-13(2)11-16(14)17/h7-8,11,15,17,20H,6,9-10,12H2,1-5H3,(H,21,22)
InChIKeyUEHOVJWHTANCKH-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.88
Rot. Bonds5

About tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate

tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate (PubChem CID 107250248) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate
PubChem CID107250248
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate
SMILESCCC(CNC1CCc2ccc(C)cc21)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-6-15(21-18(22)23-19(3,4)5)12-20-17-10-9-14-8-7-13(2)11-16(14)17/h7-8,11,15,17,20H,6,9-10,12H2,1-5H3,(H,21,22)
InChIKeyUEHOVJWHTANCKH-UHFFFAOYSA-N
XLogP3.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate
CID 107250366
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3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol
CID 81343671
tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate
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N-butan-2-yl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 81334511
tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate
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tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 59505686
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol
CID 103787436
tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250173
tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250206
tert-butyl N-[1-[2-(dimethylamino)propylamino]-2,3-dihydro-1H-inden-5-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate (CID 107250248) is tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate is CCC(CNC1CCc2ccc(C)cc21)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate?
The InChIKey is UEHOVJWHTANCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-6-15(21-18(22)23-19(3,4)5)12-20-17-10-9-14-8-7-13(2)11-16(14)17/h7-8,11,15,17,20H,6,9-10,12H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate?
tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 107250248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).