tert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate

C19H28N2O2 — CID 103522702

IUPACtert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
SMILESCC(C)=CCNC1CCc2cc(NC(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C19H28N2O2/c1-13(2)10-11-20-17-9-6-14-12-15(7-8-16(14)17)21-18(22)23-19(3,4)5/h7-8,10,12,17,20H,6,9,11H2,1-5H3,(H,21,22)
InChIKeyJRTGIMMNZXSFDM-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.58
Rot. Bonds4

About tert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate

tert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate (PubChem CID 103522702) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is tert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
PubChem CID103522702
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Nametert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
SMILESCC(C)=CCNC1CCc2cc(NC(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C19H28N2O2/c1-13(2)10-11-20-17-9-6-14-12-15(7-8-16(14)17)21-18(22)23-19(3,4)5/h7-8,10,12,17,20H,6,9,11H2,1-5H3,(H,21,22)
InChIKeyJRTGIMMNZXSFDM-UHFFFAOYSA-N
XLogP4.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate
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tert-butyl N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate (CID 103522702) is tert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate is CC(C)=CCNC1CCc2cc(NC(=O)OC(C)(C)C)ccc21.
What is the InChIKey of tert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate?
The InChIKey is JRTGIMMNZXSFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13(2)10-11-20-17-9-6-14-12-15(7-8-16(14)17)21-18(22)23-19(3,4)5/h7-8,10,12,17,20H,6,9,11H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate?
tert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate has a molecular weight of 316.45 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate is sourced from PubChem (CID 103522702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).