N-(5-aminopentyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide

C14H24N2O — CID 121451480

IUPACN-(5-aminopentyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide
SMILESNCCCCCNC(=O)C1CC2C=CC1CC2
InChIInChI=1S/C14H24N2O/c15-8-2-1-3-9-16-14(17)13-10-11-4-6-12(13)7-5-11/h4,6,11-13H,1-3,5,7-10,15H2,(H,16,17)
InChIKeyKXFGAFKGYABDLL-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.83
Rot. Bonds6

About N-(5-aminopentyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide

N-(5-aminopentyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide (PubChem CID 121451480) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(5-aminopentyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide
PubChem CID121451480
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(5-aminopentyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide
SMILESNCCCCCNC(=O)C1CC2C=CC1CC2
InChIInChI=1S/C14H24N2O/c15-8-2-1-3-9-16-14(17)13-10-11-4-6-12(13)7-5-11/h4,6,11-13H,1-3,5,7-10,15H2,(H,16,17)
InChIKeyKXFGAFKGYABDLL-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide?
The IUPAC name of N-(5-aminopentyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide (CID 121451480) is N-(5-aminopentyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide?
The canonical SMILES for N-(5-aminopentyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide is NCCCCCNC(=O)C1CC2C=CC1CC2.
What is the InChIKey of N-(5-aminopentyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide?
The InChIKey is KXFGAFKGYABDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c15-8-2-1-3-9-16-14(17)13-10-11-4-6-12(13)7-5-11/h4,6,11-13H,1-3,5,7-10,15H2,(H,16,17).
What are the key properties of N-(5-aminopentyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide?
N-(5-aminopentyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)bicyclo[2.2.2]oct-5-ene-2-carboxamide is sourced from PubChem (CID 121451480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).