(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl) carbamate

C11H14N2O2 — CID 175492626

IUPAC(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl) carbamate
SMILESNC(=O)OC1CCc2cc(N)ccc2C1
InChIInChI=1S/C11H14N2O2/c12-9-3-1-8-6-10(15-11(13)14)4-2-7(8)5-9/h1,3,5,10H,2,4,6,12H2,(H2,13,14)
InChIKeyQVYGTHYIGRAEKZ-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.22
Rot. Bonds1

About (6-amino-1,2,3,4-tetrahydronaphthalen-2-yl) carbamate

(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl) carbamate (PubChem CID 175492626) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (6-amino-1,2,3,4-tetrahydronaphthalen-2-yl) carbamate.

Molecular Properties

Compound Name(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl) carbamate
PubChem CID175492626
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl) carbamate
SMILESNC(=O)OC1CCc2cc(N)ccc2C1
InChIInChI=1S/C11H14N2O2/c12-9-3-1-8-6-10(15-11(13)14)4-2-7(8)5-9/h1,3,5,10H,2,4,6,12H2,(H2,13,14)
InChIKeyQVYGTHYIGRAEKZ-UHFFFAOYSA-N
XLogP1.22
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-amino-1,2,3,4-tetrahydronaphthalen-2-yl) carbamate?
The IUPAC name of (6-amino-1,2,3,4-tetrahydronaphthalen-2-yl) carbamate (CID 175492626) is (6-amino-1,2,3,4-tetrahydronaphthalen-2-yl) carbamate.
What is the SMILES notation for (6-amino-1,2,3,4-tetrahydronaphthalen-2-yl) carbamate?
The canonical SMILES for (6-amino-1,2,3,4-tetrahydronaphthalen-2-yl) carbamate is NC(=O)OC1CCc2cc(N)ccc2C1.
What is the InChIKey of (6-amino-1,2,3,4-tetrahydronaphthalen-2-yl) carbamate?
The InChIKey is QVYGTHYIGRAEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-9-3-1-8-6-10(15-11(13)14)4-2-7(8)5-9/h1,3,5,10H,2,4,6,12H2,(H2,13,14).
What are the key properties of (6-amino-1,2,3,4-tetrahydronaphthalen-2-yl) carbamate?
(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl) carbamate has a molecular weight of 206.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1,2,3,4-tetrahydronaphthalen-2-yl) carbamate is sourced from PubChem (CID 175492626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).