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

C13H23NO — CID 43225221

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxypropan-1-amine
SMILESCCOCCCNCC1CC2C=CC1C2
InChIInChI=1S/C13H23NO/c1-2-15-7-3-6-14-10-13-9-11-4-5-12(13)8-11/h4-5,11-14H,2-3,6-10H2,1H3
InChIKeyAUDJCRXUUJDOST-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.21
Rot. Bonds7

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

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxypropan-1-amine (PubChem CID 43225221) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxypropan-1-amine
PubChem CID43225221
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxypropan-1-amine
SMILESCCOCCCNCC1CC2C=CC1C2
InChIInChI=1S/C13H23NO/c1-2-15-7-3-6-14-10-13-9-11-4-5-12(13)8-11/h4-5,11-14H,2-3,6-10H2,1H3
InChIKeyAUDJCRXUUJDOST-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.21
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-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxypropan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxypropan-1-amine (CID 43225221) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxypropan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxypropan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxypropan-1-amine is CCOCCCNCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxypropan-1-amine?
The InChIKey is AUDJCRXUUJDOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-15-7-3-6-14-10-13-9-11-4-5-12(13)8-11/h4-5,11-14H,2-3,6-10H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxypropan-1-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxypropan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxypropan-1-amine is sourced from PubChem (CID 43225221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).