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

C10H17NO — CID 43222599

IUPACN-(2-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCOCCNC1CC2CC=CC21
InChIInChI=1S/C10H17NO/c1-12-6-5-11-10-7-8-3-2-4-9(8)10/h2,4,8-11H,3,5-7H2,1H3
InChIKeyFVOSFUALLWBZHL-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.19
Rot. Bonds4

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

N-(2-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43222599) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43222599
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(2-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCOCCNC1CC2CC=CC21
InChIInChI=1S/C10H17NO/c1-12-6-5-11-10-7-8-3-2-4-9(8)10/h2,4,8-11H,3,5-7H2,1H3
InChIKeyFVOSFUALLWBZHL-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.19
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-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(2-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 43222599) is N-(2-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(2-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(2-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine is COCCNC1CC2CC=CC21.
What is the InChIKey of N-(2-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is FVOSFUALLWBZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-12-6-5-11-10-7-8-3-2-4-9(8)10/h2,4,8-11H,3,5-7H2,1H3.
What are the key properties of N-(2-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(2-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 167.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43222599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).