N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide

C12H22N2O2 — CID 82993999

IUPACN-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCOCCNCCNC(=O)C1C2CCCC21
InChIInChI=1S/C12H22N2O2/c1-16-8-7-13-5-6-14-12(15)11-9-3-2-4-10(9)11/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyWPBBNTALLMFSTJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.38
Rot. Bonds7

About N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide

N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 82993999) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID82993999
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCOCCNCCNC(=O)C1C2CCCC21
InChIInChI=1S/C12H22N2O2/c1-16-8-7-13-5-6-14-12(15)11-9-3-2-4-10(9)11/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyWPBBNTALLMFSTJ-UHFFFAOYSA-N
XLogP0.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 82994614
N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide
CID 82994613
N-[2-(2-methoxyethylamino)ethyl]oxolane-2-carboxamide
CID 82993664
N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106243577
N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 81478899
3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide
CID 114226519
N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 82994785
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid
CID 81454952
N-(2-chloro-3-methoxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114298715
N-(2-methoxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890092
(1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99786429

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide (CID 82993999) is N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide is COCCNCCNC(=O)C1C2CCCC21.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is WPBBNTALLMFSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-8-7-13-5-6-14-12(15)11-9-3-2-4-10(9)11/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 82993999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).