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

C11H20N2O — CID 81478899

IUPACN-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCNCCNC(=O)C1C2CCCCC21
InChIInChI=1S/C11H20N2O/c1-12-6-7-13-11(14)10-8-4-2-3-5-9(8)10/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyVIOGYAIKYVNBRG-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.76
Rot. Bonds4

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

N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 81478899) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID81478899
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCNCCNC(=O)C1C2CCCCC21
InChIInChI=1S/C11H20N2O/c1-12-6-7-13-11(14)10-8-4-2-3-5-9(8)10/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyVIOGYAIKYVNBRG-UHFFFAOYSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81459042
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81449431
N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 82994614
N-[2-(methylamino)ethyl]cyclobutanecarboxamide
CID 62659847
N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 111540255
N-(4-bromobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 106845738
N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 107318652
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide
CID 79139027
3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid
CID 81454952
N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 82993999

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide (CID 81478899) is N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide is CNCCNC(=O)C1C2CCCCC21.
What is the InChIKey of N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is VIOGYAIKYVNBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12-6-7-13-11(14)10-8-4-2-3-5-9(8)10/h8-10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide?
N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 81478899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).