ethane;ethyl N-(2,3-dimethylcyclohex-3-en-1-yl)-N-ethylcarbamate

C15H29NO2 — CID 143290064

IUPACethane;ethyl N-(2,3-dimethylcyclohex-3-en-1-yl)-N-ethylcarbamate
SMILESCC.CCOC(=O)N(CC)C1CCC=C(C)C1C
InChIInChI=1S/C13H23NO2.C2H6/c1-5-14(13(15)16-6-2)12-9-7-8-10(3)11(12)4;1-2/h8,11-12H,5-7,9H2,1-4H3;1-2H3
InChIKeySKNACVZXGSSWDX-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.24
Rot. Bonds3

About ethane;ethyl N-(2,3-dimethylcyclohex-3-en-1-yl)-N-ethylcarbamate

ethane;ethyl N-(2,3-dimethylcyclohex-3-en-1-yl)-N-ethylcarbamate (PubChem CID 143290064) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethane;ethyl N-(2,3-dimethylcyclohex-3-en-1-yl)-N-ethylcarbamate.

Molecular Properties

Compound Nameethane;ethyl N-(2,3-dimethylcyclohex-3-en-1-yl)-N-ethylcarbamate
PubChem CID143290064
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethane;ethyl N-(2,3-dimethylcyclohex-3-en-1-yl)-N-ethylcarbamate
SMILESCC.CCOC(=O)N(CC)C1CCC=C(C)C1C
InChIInChI=1S/C13H23NO2.C2H6/c1-5-14(13(15)16-6-2)12-9-7-8-10(3)11(12)4;1-2/h8,11-12H,5-7,9H2,1-4H3;1-2H3
InChIKeySKNACVZXGSSWDX-UHFFFAOYSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 6-azabicyclo[3.2.2]non-8-ene-6-carboxylate
CID 12702548
Ethyl 3-methyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 12955693
Ethyl 3-ethyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 12955696
ethyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 22498913
Ethyl 4-propan-2-yl-2,3,3a,6,7,7a-hexahydroindole-1-carboxylate
CID 58691704
Ethyl 5-propan-2-yl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxylate
CID 58691731
ethyl N-cyclohex-3-en-1-yl-N-methylcarbamate
CID 67271194
Ethyl 4-methyl-2,3,3a,6,7,7a-hexahydroindole-1-carboxylate
CID 71221245
Ethyl 5-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridine-1-carboxylate
CID 71221270
ethyl 4-ethyl-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 91169541
Ethyl 2,3,3a,4,5,7a-hexahydroindole-1-carboxylate
CID 91207740
methyl 5,6-dimethyl-2-(2-methylbutyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 91232421

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl N-(2,3-dimethylcyclohex-3-en-1-yl)-N-ethylcarbamate?
The IUPAC name of ethane;ethyl N-(2,3-dimethylcyclohex-3-en-1-yl)-N-ethylcarbamate (CID 143290064) is ethane;ethyl N-(2,3-dimethylcyclohex-3-en-1-yl)-N-ethylcarbamate.
What is the SMILES notation for ethane;ethyl N-(2,3-dimethylcyclohex-3-en-1-yl)-N-ethylcarbamate?
The canonical SMILES for ethane;ethyl N-(2,3-dimethylcyclohex-3-en-1-yl)-N-ethylcarbamate is CC.CCOC(=O)N(CC)C1CCC=C(C)C1C.
What is the InChIKey of ethane;ethyl N-(2,3-dimethylcyclohex-3-en-1-yl)-N-ethylcarbamate?
The InChIKey is SKNACVZXGSSWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2.C2H6/c1-5-14(13(15)16-6-2)12-9-7-8-10(3)11(12)4;1-2/h8,11-12H,5-7,9H2,1-4H3;1-2H3.
What are the key properties of ethane;ethyl N-(2,3-dimethylcyclohex-3-en-1-yl)-N-ethylcarbamate?
ethane;ethyl N-(2,3-dimethylcyclohex-3-en-1-yl)-N-ethylcarbamate has a molecular weight of 255.40 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl N-(2,3-dimethylcyclohex-3-en-1-yl)-N-ethylcarbamate is sourced from PubChem (CID 143290064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).