N-(2-morpholin-4-ylethyl)bicyclo[3.2.0]hept-3-en-6-amine

C13H22N2O — CID 43222856

IUPACN-(2-morpholin-4-ylethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCCN1CCOCC1
InChIInChI=1S/C13H22N2O/c1-2-11-10-13(12(11)3-1)14-4-5-15-6-8-16-9-7-15/h1,3,11-14H,2,4-10H2
InChIKeyYFHVYKXUZVYBQZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP0.87
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(2-morpholin-4-ylethyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43222856) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43222856
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(2-morpholin-4-ylethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCCN1CCOCC1
InChIInChI=1S/C13H22N2O/c1-2-11-10-13(12(11)3-1)14-4-5-15-6-8-16-9-7-15/h1,3,11-14H,2,4-10H2
InChIKeyYFHVYKXUZVYBQZ-UHFFFAOYSA-N
XLogP0.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 43222856) is N-(2-morpholin-4-ylethyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)bicyclo[3.2.0]hept-3-en-6-amine is C1=CC2C(C1)CC2NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is YFHVYKXUZVYBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-11-10-13(12(11)3-1)14-4-5-15-6-8-16-9-7-15/h1,3,11-14H,2,4-10H2.
What are the key properties of N-(2-morpholin-4-ylethyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(2-morpholin-4-ylethyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 222.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43222856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).