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

C19H30N2O2 — CID 103730984

IUPACtert-butyl N-[1-(pentan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
SMILESCCCC(C)NC1CCc2cc(NC(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C19H30N2O2/c1-6-7-13(2)20-17-11-8-14-12-15(9-10-16(14)17)21-18(22)23-19(3,4)5/h9-10,12-13,17,20H,6-8,11H2,1-5H3,(H,21,22)
InChIKeyKWOXGLHMHOYVEW-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.80
Rot. Bonds5

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

tert-butyl N-[1-(pentan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate (PubChem CID 103730984) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[1-(pentan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(pentan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
PubChem CID103730984
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[1-(pentan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
SMILESCCCC(C)NC1CCc2cc(NC(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C19H30N2O2/c1-6-7-13(2)20-17-11-8-14-12-15(9-10-16(14)17)21-18(22)23-19(3,4)5/h9-10,12-13,17,20H,6-8,11H2,1-5H3,(H,21,22)
InChIKeyKWOXGLHMHOYVEW-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(4-hydroxybutan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
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tert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate
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tert-butyl N-[1-(3-methylbut-2-enylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
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tert-butyl N-[1-(oxetan-3-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
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tert-butyl N-[1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
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tert-butyl N-[1-[(4-bromothiophen-2-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]carbamate
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tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate
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tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(pentan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(pentan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate (CID 103730984) is tert-butyl N-[1-(pentan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(pentan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(pentan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate is CCCC(C)NC1CCc2cc(NC(=O)OC(C)(C)C)ccc21.
What is the InChIKey of tert-butyl N-[1-(pentan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate?
The InChIKey is KWOXGLHMHOYVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-6-7-13(2)20-17-11-8-14-12-15(9-10-16(14)17)21-18(22)23-19(3,4)5/h9-10,12-13,17,20H,6-8,11H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[1-(pentan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate?
tert-butyl N-[1-(pentan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 4.80, 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-(pentan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate is sourced from PubChem (CID 103730984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).