N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide

C13H24N2O — CID 107206663

IUPACN-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(CCCCCN)C(=O)C1C2CCCC21
InChIInChI=1S/C13H24N2O/c1-15(9-4-2-3-8-14)13(16)12-10-6-5-7-11(10)12/h10-12H,2-9,14H2,1H3
InChIKeyLMXMRUFASCKFPY-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.62
Rot. Bonds6

About N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide

N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 107206663) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
PubChem CID107206663
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(CCCCCN)C(=O)C1C2CCCC21
InChIInChI=1S/C13H24N2O/c1-15(9-4-2-3-8-14)13(16)12-10-6-5-7-11(10)12/h10-12H,2-9,14H2,1H3
InChIKeyLMXMRUFASCKFPY-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide (CID 107206663) is N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide is CN(CCCCCN)C(=O)C1C2CCCC21.
What is the InChIKey of N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is LMXMRUFASCKFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-15(9-4-2-3-8-14)13(16)12-10-6-5-7-11(10)12/h10-12H,2-9,14H2,1H3.
What are the key properties of N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 107206663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).