N-(1-morpholin-4-ylpropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine

C14H24N2O — CID 43779483

IUPACN-(1-morpholin-4-ylpropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(CN1CCOCC1)NC1CC2CC=CC21
InChIInChI=1S/C14H24N2O/c1-11(10-16-5-7-17-8-6-16)15-14-9-12-3-2-4-13(12)14/h2,4,11-15H,3,5-10H2,1H3
InChIKeyBDVPMNAHRGOJSS-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.26
Rot. Bonds4

About N-(1-morpholin-4-ylpropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine

N-(1-morpholin-4-ylpropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43779483) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(1-morpholin-4-ylpropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(1-morpholin-4-ylpropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43779483
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(1-morpholin-4-ylpropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(CN1CCOCC1)NC1CC2CC=CC21
InChIInChI=1S/C14H24N2O/c1-11(10-16-5-7-17-8-6-16)15-14-9-12-3-2-4-13(12)14/h2,4,11-15H,3,5-10H2,1H3
InChIKeyBDVPMNAHRGOJSS-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-ylpropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(1-morpholin-4-ylpropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine (CID 43779483) is N-(1-morpholin-4-ylpropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(1-morpholin-4-ylpropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(1-morpholin-4-ylpropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine is CC(CN1CCOCC1)NC1CC2CC=CC21.
What is the InChIKey of N-(1-morpholin-4-ylpropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is BDVPMNAHRGOJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(10-16-5-7-17-8-6-16)15-14-9-12-3-2-4-13(12)14/h2,4,11-15H,3,5-10H2,1H3.
What are the key properties of N-(1-morpholin-4-ylpropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(1-morpholin-4-ylpropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 236.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-ylpropan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43779483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).