N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide

C13H24N2O2 — CID 82994614

IUPACN-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCOCCNCCNC(=O)C1C2CCCCC21
InChIInChI=1S/C13H24N2O2/c1-17-9-8-14-6-7-15-13(16)12-10-4-2-3-5-11(10)12/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyXEGVWFGPPXHZTE-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.77
Rot. Bonds7

About N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide

N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 82994614) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID82994614
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCOCCNCCNC(=O)C1C2CCCCC21
InChIInChI=1S/C13H24N2O2/c1-17-9-8-14-6-7-15-13(16)12-10-4-2-3-5-11(10)12/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyXEGVWFGPPXHZTE-UHFFFAOYSA-N
XLogP0.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.77
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[3.1.0]hexane-6-carboxamide
CID 82993999
N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide
CID 82994613
N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 81478899
N-[2-(2-methoxyethylamino)ethyl]oxolane-2-carboxamide
CID 82993664
N-(2-chloro-3-methoxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114298715
N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106243577
methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate
CID 79173602
N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 82994785
3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide
CID 114226519
(1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99786429
N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81459042
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide (CID 82994614) is N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide is COCCNCCNC(=O)C1C2CCCCC21.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is XEGVWFGPPXHZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-17-9-8-14-6-7-15-13(16)12-10-4-2-3-5-11(10)12/h10-12,14H,2-9H2,1H3,(H,15,16).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide?
N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.77, 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[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 82994614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).