N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethenoxypropan-1-amine

C14H23NO — CID 43771247

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethenoxypropan-1-amine
SMILESC=COCCCNC(C)C1CC2C=CC1C2
InChIInChI=1S/C14H23NO/c1-3-16-8-4-7-15-11(2)14-10-12-5-6-13(14)9-12/h3,5-6,11-15H,1,4,7-10H2,2H3
InChIKeyCSJOEQGFDABLPL-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.73
Rot. Bonds7

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethenoxypropan-1-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethenoxypropan-1-amine (PubChem CID 43771247) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethenoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethenoxypropan-1-amine
PubChem CID43771247
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethenoxypropan-1-amine
SMILESC=COCCCNC(C)C1CC2C=CC1C2
InChIInChI=1S/C14H23NO/c1-3-16-8-4-7-15-11(2)14-10-12-5-6-13(14)9-12/h3,5-6,11-15H,1,4,7-10H2,2H3
InChIKeyCSJOEQGFDABLPL-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethenoxypropan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethenoxypropan-1-amine (CID 43771247) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethenoxypropan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethenoxypropan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethenoxypropan-1-amine is C=COCCCNC(C)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethenoxypropan-1-amine?
The InChIKey is CSJOEQGFDABLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-16-8-4-7-15-11(2)14-10-12-5-6-13(14)9-12/h3,5-6,11-15H,1,4,7-10H2,2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethenoxypropan-1-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethenoxypropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethenoxypropan-1-amine is sourced from PubChem (CID 43771247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).