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

C14H25NO — CID 43765296

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNC(C)C1CC2C=CC1C2
InChIInChI=1S/C14H25NO/c1-3-16-8-4-7-15-11(2)14-10-12-5-6-13(14)9-12/h5-6,11-15H,3-4,7-10H2,1-2H3
InChIKeyQJKWGXLHQSDOKS-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.60
Rot. Bonds7

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

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethoxypropan-1-amine (PubChem CID 43765296) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethoxypropan-1-amine
PubChem CID43765296
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNC(C)C1CC2C=CC1C2
InChIInChI=1S/C14H25NO/c1-3-16-8-4-7-15-11(2)14-10-12-5-6-13(14)9-12/h5-6,11-15H,3-4,7-10H2,1-2H3
InChIKeyQJKWGXLHQSDOKS-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
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-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethoxypropan-1-amine (CID 43765296) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethoxypropan-1-amine is CCOCCCNC(C)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethoxypropan-1-amine?
The InChIKey is QJKWGXLHQSDOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-16-8-4-7-15-11(2)14-10-12-5-6-13(14)9-12/h5-6,11-15H,3-4,7-10H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethoxypropan-1-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-ethoxypropan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.60, 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-ethoxypropan-1-amine is sourced from PubChem (CID 43765296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).