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

C17H22N2O2 — CID 10881826

IUPAC[8-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate
SMILESC#CCNC1CCCc2ccc(OC(=O)N(C)CC)cc21
InChIInChI=1S/C17H22N2O2/c1-4-11-18-16-8-6-7-13-9-10-14(12-15(13)16)21-17(20)19(3)5-2/h1,9-10,12,16,18H,5-8,11H2,2-3H3
InChIKeyYGELCAKCNMQGLG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.74
Rot. Bonds4

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

[8-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate (PubChem CID 10881826) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [8-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[8-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate
PubChem CID10881826
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[8-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate
SMILESC#CCNC1CCCc2ccc(OC(=O)N(C)CC)cc21
InChIInChI=1S/C17H22N2O2/c1-4-11-18-16-8-6-7-13-9-10-14(12-15(13)16)21-17(20)19(3)5-2/h1,9-10,12,16,18H,5-8,11H2,2-3H3
InChIKeyYGELCAKCNMQGLG-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ladostigil
CID 208907
Phenol, 3-(1-(dimethylamino)ethyl)-, 1-(N-methylcarbamate)
CID 46093
(3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-5-yl N-ethyl-N-methylcarbamate
CID 9882343
7-(prop-2-yn-1-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl N-ethyl-N-methylcarbamate
CID 11045523
3-[2-(but-3-yn-2-ylamino)ethyl]phenyl N-ethyl-N-methylcarbamate
CID 10881476
3-(methylamino)-2,3-dihydro-1H-inden-5-yl N,N-dimethylcarbamate
CID 10890965
7-(prop-2-yn-1-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl N,N-dimethylcarbamate
CID 10924902
3-[2-(prop-2-yn-1-ylamino)ethyl]phenyl N-methyl-N-propylcarbamate
CID 10924975
3-[2-(prop-2-yn-1-ylamino)propyl]phenyl N-ethyl-N-methylcarbamate hydrochloride
CID 10990561
3-[2-(prop-2-yn-1-ylamino)propyl]phenyl N-butyl-N-methylcarbamate
CID 11002266
1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl N-ethyl-N-methylcarbamate
CID 11012293
3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl N-ethyl-N-methylcarbamate hydrochloride
CID 11034220

Frequently Asked Questions

What is the IUPAC name of [8-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate?
The IUPAC name of [8-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate (CID 10881826) is [8-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [8-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [8-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate is C#CCNC1CCCc2ccc(OC(=O)N(C)CC)cc21.
What is the InChIKey of [8-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate?
The InChIKey is YGELCAKCNMQGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-11-18-16-8-6-7-13-9-10-14(12-15(13)16)21-17(20)19(3)5-2/h1,9-10,12,16,18H,5-8,11H2,2-3H3.
What are the key properties of [8-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate?
[8-(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 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(prop-2-ynylamino)-5,6,7,8-tetrahydronaphthalen-2-yl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 10881826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).