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

C14H24N2O — CID 43222682

IUPACN-(3-morpholin-4-ylpropyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCCCN1CCOCC1
InChIInChI=1S/C14H24N2O/c1-3-12-11-14(13(12)4-1)15-5-2-6-16-7-9-17-10-8-16/h1,4,12-15H,2-3,5-11H2
InChIKeyYFTLSDXFAHUIAY-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.26
Rot. Bonds5

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

N-(3-morpholin-4-ylpropyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43222682) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43222682
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(3-morpholin-4-ylpropyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCCCN1CCOCC1
InChIInChI=1S/C14H24N2O/c1-3-12-11-14(13(12)4-1)15-5-2-6-16-7-9-17-10-8-16/h1,4,12-15H,2-3,5-11H2
InChIKeyYFTLSDXFAHUIAY-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.26
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-morpholin-4-ylpropyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 43222682) is N-(3-morpholin-4-ylpropyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)bicyclo[3.2.0]hept-3-en-6-amine is C1=CC2C(C1)CC2NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is YFTLSDXFAHUIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-12-11-14(13(12)4-1)15-5-2-6-16-7-9-17-10-8-16/h1,4,12-15H,2-3,5-11H2.
What are the key properties of N-(3-morpholin-4-ylpropyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(3-morpholin-4-ylpropyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 236.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43222682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).