tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate

C16H24N2O2 — CID 130120349

IUPACtert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2cccc(N)c2CC1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-12-8-7-11-5-4-6-14(17)13(11)10-9-12/h4-6,12H,7-10,17H2,1-3H3,(H,18,19)
InChIKeyFUMPBCQYGGNZDJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.04
Rot. Bonds1

About tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate

tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate (PubChem CID 130120349) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate
PubChem CID130120349
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2cccc(N)c2CC1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-12-8-7-11-5-4-6-14(17)13(11)10-9-12/h4-6,12H,7-10,17H2,1-3H3,(H,18,19)
InChIKeyFUMPBCQYGGNZDJ-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.04
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

tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
CID 91059787
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 19386082
tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
CID 58242220
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid
CID 125041541
tert-butyl N-[(7S)-3-(3,5-diamino-1,2,4-triazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]carbamate
CID 122700011
tert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate
CID 107237938
tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 125470418
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 19433660
tert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate
CID 162385011
tert-butyl N-[(3S)-1-(2-amino-6-fluorophenyl)pyrrolidin-3-yl]carbamate
CID 53255939
tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate
CID 86643888

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate (CID 130120349) is tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate is CC(C)(C)OC(=O)NC1CCc2cccc(N)c2CC1.
What is the InChIKey of tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate?
The InChIKey is FUMPBCQYGGNZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-12-8-7-11-5-4-6-14(17)13(11)10-9-12/h4-6,12H,7-10,17H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate?
tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate has a molecular weight of 276.38 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate is sourced from PubChem (CID 130120349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).