[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone

C17H28N2O2 — CID 155870817

IUPAC[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone
SMILESCOCCN1C2CCC1CN(C(=O)C1(C)CC=CCC1)C2
InChIInChI=1S/C17H28N2O2/c1-17(8-4-3-5-9-17)16(20)18-12-14-6-7-15(13-18)19(14)10-11-21-2/h3-4,14-15H,5-13H2,1-2H3
InChIKeyLATAWLHPCRPZNR-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.05
Rot. Bonds4

About [8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone

[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone (PubChem CID 155870817) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone.

Molecular Properties

Compound Name[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone
PubChem CID155870817
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone
SMILESCOCCN1C2CCC1CN(C(=O)C1(C)CC=CCC1)C2
InChIInChI=1S/C17H28N2O2/c1-17(8-4-3-5-9-17)16(20)18-12-14-6-7-15(13-18)19(14)10-11-21-2/h3-4,14-15H,5-13H2,1-2H3
InChIKeyLATAWLHPCRPZNR-UHFFFAOYSA-N
XLogP2.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131687886
5-(cyclopropylmethyl)-2-(1-methylcyclohex-3-ene-1-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 131683041
[(3aR,6aR)-1-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-(1-methylcyclohex-3-en-1-yl)methanone
CID 131687182
(3-hydroxycyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 131680688
[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(1-methylcyclohex-3-en-1-yl)methanone
CID 131685836
[7-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(1-methylcyclohex-3-en-1-yl)methanone
CID 155875680
(3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 155866705
(1-methylcyclohex-3-en-1-yl)-(4-propan-2-yl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl)methanone
CID 131689595
N-cyclobutyl-3-(1-methylcyclohex-3-ene-1-carbonyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 155870524
4-(ethoxymethyl)-2-ethyl-8-(1-methylcyclohex-3-ene-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131690520
2-[(2S,3aS,6aS)-5-(1-methylcyclohex-3-ene-1-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(azetidin-1-yl)ethanone
CID 131681931
2-hydroxyethyl 1-methylcyclohex-3-ene-1-carboxylate
CID 13215604

Frequently Asked Questions

What is the IUPAC name of [8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone?
The IUPAC name of [8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone (CID 155870817) is [8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone.
What is the SMILES notation for [8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone?
The canonical SMILES for [8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone is COCCN1C2CCC1CN(C(=O)C1(C)CC=CCC1)C2.
What is the InChIKey of [8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone?
The InChIKey is LATAWLHPCRPZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(8-4-3-5-9-17)16(20)18-12-14-6-7-15(13-18)19(14)10-11-21-2/h3-4,14-15H,5-13H2,1-2H3.
What are the key properties of [8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone?
[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone has a molecular weight of 292.42 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(1-methylcyclohex-3-en-1-yl)methanone is sourced from PubChem (CID 155870817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).