[7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N,N-dimethylcarbamate

C16H20N2O2 — CID 10924902

IUPAC[7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N,N-dimethylcarbamate
SMILESC#CCNC1CCc2ccc(OC(=O)N(C)C)cc2C1
InChIInChI=1S/C16H20N2O2/c1-4-9-17-14-7-5-12-6-8-15(11-13(12)10-14)20-16(19)18(2)3/h1,6,8,11,14,17H,5,7,9-10H2,2-3H3
InChIKeyHDMFPUCTKDEZMR-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.83
Rot. Bonds3

About [7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N,N-dimethylcarbamate

[7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N,N-dimethylcarbamate (PubChem CID 10924902) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N,N-dimethylcarbamate
PubChem CID10924902
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N,N-dimethylcarbamate
SMILESC#CCNC1CCc2ccc(OC(=O)N(C)C)cc2C1
InChIInChI=1S/C16H20N2O2/c1-4-9-17-14-7-5-12-6-8-15(11-13(12)10-14)20-16(19)18(2)3/h1,6,8,11,14,17H,5,7,9-10H2,2-3H3
InChIKeyHDMFPUCTKDEZMR-UHFFFAOYSA-N
XLogP1.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N,N-dimethylcarbamate?
The IUPAC name of [7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N,N-dimethylcarbamate (CID 10924902) is [7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N,N-dimethylcarbamate?
The canonical SMILES for [7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N,N-dimethylcarbamate is C#CCNC1CCc2ccc(OC(=O)N(C)C)cc2C1.
What is the InChIKey of [7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N,N-dimethylcarbamate?
The InChIKey is HDMFPUCTKDEZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-9-17-14-7-5-12-6-8-15(11-13(12)10-14)20-16(19)18(2)3/h1,6,8,11,14,17H,5,7,9-10H2,2-3H3.
What are the key properties of [7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N,N-dimethylcarbamate?
[7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N,N-dimethylcarbamate has a molecular weight of 272.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 10924902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).