N-[3-(2-methoxyethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine

C13H23NO2 — CID 43225532

IUPACN-[3-(2-methoxyethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESCOCCOCCCNC1CC2CC=CC21
InChIInChI=1S/C13H23NO2/c1-15-8-9-16-7-3-6-14-13-10-11-4-2-5-12(11)13/h2,5,11-14H,3-4,6-10H2,1H3
InChIKeyHBXGEEGCXOJUMY-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.59
Rot. Bonds8

About N-[3-(2-methoxyethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[3-(2-methoxyethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43225532) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43225532
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[3-(2-methoxyethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESCOCCOCCCNC1CC2CC=CC21
InChIInChI=1S/C13H23NO2/c1-15-8-9-16-7-3-6-14-13-10-11-4-2-5-12(11)13/h2,5,11-14H,3-4,6-10H2,1H3
InChIKeyHBXGEEGCXOJUMY-UHFFFAOYSA-N
XLogP1.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methoxyethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 43225532) is N-[3-(2-methoxyethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine is COCCOCCCNC1CC2CC=CC21.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is HBXGEEGCXOJUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-15-8-9-16-7-3-6-14-13-10-11-4-2-5-12(11)13/h2,5,11-14H,3-4,6-10H2,1H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[3-(2-methoxyethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 225.33 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43225532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).