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

C17H22N2O2 — CID 11045523

IUPAC[7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate
SMILESC#CCNC1CCc2ccc(OC(=O)N(C)CC)cc2C1
InChIInChI=1S/C17H22N2O2/c1-4-10-18-15-8-6-13-7-9-16(12-14(13)11-15)21-17(20)19(3)5-2/h1,7,9,12,15,18H,5-6,8,10-11H2,2-3H3
InChIKeyLHCNMMLMHAYVJW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.22
Rot. Bonds4

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

[7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate (PubChem CID 11045523) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate
PubChem CID11045523
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate
SMILESC#CCNC1CCc2ccc(OC(=O)N(C)CC)cc2C1
InChIInChI=1S/C17H22N2O2/c1-4-10-18-15-8-6-13-7-9-16(12-14(13)11-15)21-17(20)19(3)5-2/h1,7,9,12,15,18H,5-6,8,10-11H2,2-3H3
InChIKeyLHCNMMLMHAYVJW-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.22
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-ethyl-N-methylcarbamate?
The IUPAC name of [7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate (CID 11045523) is [7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate is C#CCNC1CCc2ccc(OC(=O)N(C)CC)cc2C1.
What is the InChIKey of [7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate?
The InChIKey is LHCNMMLMHAYVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-10-18-15-8-6-13-7-9-16(12-14(13)11-15)21-17(20)19(3)5-2/h1,7,9,12,15,18H,5-6,8,10-11H2,2-3H3.
What are the key properties of [7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate?
[7-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate has a molecular weight of 286.38 g/mol, XLogP of 2.22, 4 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-ethyl-N-methylcarbamate is sourced from PubChem (CID 11045523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).