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

C19H31N3O2 — CID 113250513

IUPACtert-butyl N-[1-[2-(dimethylamino)propylamino]-2,3-dihydro-1H-inden-5-yl]carbamate
SMILESCC(CNC1CCc2cc(NC(=O)OC(C)(C)C)ccc21)N(C)C
InChIInChI=1S/C19H31N3O2/c1-13(22(5)6)12-20-17-10-7-14-11-15(8-9-16(14)17)21-18(23)24-19(2,3)4/h8-9,11,13,17,20H,7,10,12H2,1-6H3,(H,21,23)
InChIKeySQXHOLHSZLECGI-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.56
Rot. Bonds5

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

tert-butyl N-[1-[2-(dimethylamino)propylamino]-2,3-dihydro-1H-inden-5-yl]carbamate (PubChem CID 113250513) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(dimethylamino)propylamino]-2,3-dihydro-1H-inden-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(dimethylamino)propylamino]-2,3-dihydro-1H-inden-5-yl]carbamate
PubChem CID113250513
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Nametert-butyl N-[1-[2-(dimethylamino)propylamino]-2,3-dihydro-1H-inden-5-yl]carbamate
SMILESCC(CNC1CCc2cc(NC(=O)OC(C)(C)C)ccc21)N(C)C
InChIInChI=1S/C19H31N3O2/c1-13(22(5)6)12-20-17-10-7-14-11-15(8-9-16(14)17)21-18(23)24-19(2,3)4/h8-9,11,13,17,20H,7,10,12H2,1-6H3,(H,21,23)
InChIKeySQXHOLHSZLECGI-UHFFFAOYSA-N
XLogP3.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(pentan-2-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-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-[(4-bromothiophen-2-yl)methylamino]-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-[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
CID 134368267
tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
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ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-chromen-2-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(dimethylamino)propylamino]-2,3-dihydro-1H-inden-5-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(dimethylamino)propylamino]-2,3-dihydro-1H-inden-5-yl]carbamate (CID 113250513) is tert-butyl N-[1-[2-(dimethylamino)propylamino]-2,3-dihydro-1H-inden-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(dimethylamino)propylamino]-2,3-dihydro-1H-inden-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(dimethylamino)propylamino]-2,3-dihydro-1H-inden-5-yl]carbamate is CC(CNC1CCc2cc(NC(=O)OC(C)(C)C)ccc21)N(C)C.
What is the InChIKey of tert-butyl N-[1-[2-(dimethylamino)propylamino]-2,3-dihydro-1H-inden-5-yl]carbamate?
The InChIKey is SQXHOLHSZLECGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-13(22(5)6)12-20-17-10-7-14-11-15(8-9-16(14)17)21-18(23)24-19(2,3)4/h8-9,11,13,17,20H,7,10,12H2,1-6H3,(H,21,23).
What are the key properties of tert-butyl N-[1-[2-(dimethylamino)propylamino]-2,3-dihydro-1H-inden-5-yl]carbamate?
tert-butyl N-[1-[2-(dimethylamino)propylamino]-2,3-dihydro-1H-inden-5-yl]carbamate has a molecular weight of 333.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(dimethylamino)propylamino]-2,3-dihydro-1H-inden-5-yl]carbamate is sourced from PubChem (CID 113250513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).