tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate

C15H22N2O2 — CID 177368501

IUPACtert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1(C)CCc2cc(N)ccc21
InChIInChI=1S/C15H22N2O2/c1-14(2,3)19-13(18)17-15(4)8-7-10-9-11(16)5-6-12(10)15/h5-6,9H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyFTLSFCZEDQNLLB-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.95
Rot. Bonds1

About tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate

tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate (PubChem CID 177368501) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate
PubChem CID177368501
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1(C)CCc2cc(N)ccc21
InChIInChI=1S/C15H22N2O2/c1-14(2,3)19-13(18)17-15(4)8-7-10-9-11(16)5-6-12(10)15/h5-6,9H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyFTLSFCZEDQNLLB-UHFFFAOYSA-N
XLogP2.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 67806787
tert-butyl N-[5-amino-1-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroinden-1-yl]carbamate
CID 177368559
tert-butyl N-(2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)carbamate
CID 171624143
tert-butyl N-[1-(4-amino-2-methoxyphenyl)-4-methylpiperidin-4-yl]carbamate
CID 142621565
methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate
CID 145156027
(1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 138109460
tert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate
CID 18331441
tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
CID 22981091
methyl 5-amino-1-bromo-2,3-dihydroindene-1-carboxylate
CID 67422511
tert-butyl N-[(1R)-7-amino-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;tert-butyl N-[(1S)-7-amino-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;tert-butyl N-(7-amino-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
CID 158735522
tert-butyl 7-amino-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 11402789
tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
CID 91387270

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate?
The IUPAC name of tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate (CID 177368501) is tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate is CC(C)(C)OC(=O)NC1(C)CCc2cc(N)ccc21.
What is the InChIKey of tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate?
The InChIKey is FTLSFCZEDQNLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(2,3)19-13(18)17-15(4)8-7-10-9-11(16)5-6-12(10)15/h5-6,9H,7-8,16H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate?
tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate is sourced from PubChem (CID 177368501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).