N-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C11H18N2O — CID 62268447

IUPACN-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNCCCNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C11H18N2O/c12-4-1-5-13-11(14)10-7-8-2-3-9(10)6-8/h2-3,8-10H,1,4-7,12H2,(H,13,14)
InChIKeyFEBRVHUNPOGLLL-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.66
Rot. Bonds4

About N-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 62268447) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID62268447
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNCCCNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C11H18N2O/c12-4-1-5-13-11(14)10-7-8-2-3-9(10)6-8/h2-3,8-10H,1,4-7,12H2,(H,13,14)
InChIKeyFEBRVHUNPOGLLL-UHFFFAOYSA-N
XLogP0.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.66
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-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 62268447) is N-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is NCCCNC(=O)C1CC2C=CC1C2.
What is the InChIKey of N-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is FEBRVHUNPOGLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-4-1-5-13-11(14)10-7-8-2-3-9(10)6-8/h2-3,8-10H,1,4-7,12H2,(H,13,14).
What are the key properties of N-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 62268447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).