N-(14-methylallyl)norgalanthamine

C20H25NO3 — CID 24863955

IUPAC(1S,12S,14R)-9-methoxy-4-(2-methylprop-2-enyl)-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
SMILESCC(=C)CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O
InChIInChI=1S/C20H25NO3/c1-13(2)11-21-9-8-20-7-6-15(22)10-17(20)24-19-16(23-3)5-4-14(12-21)18(19)20/h4-7,15,17,22H,1,8-12H2,2-3H3/t15-,17-,20-/m0/s1
InChIKeyFEKQBPRIVQKBRM-KNBMTAEXSA-N
MW327.40 g/mol
LogP3.10
Rot. Bonds3

About N-(14-methylallyl)norgalanthamine

N-(14-methylallyl)norgalanthamine (PubChem CID 24863955) has the molecular formula C20H25NO3 and a molecular weight of 327.40 g/mol. Its IUPAC name is (1S,12S,14R)-9-methoxy-4-(2-methylprop-2-enyl)-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol.

Molecular Properties

Compound NameN-(14-methylallyl)norgalanthamine
PubChem CID24863955
Molecular FormulaC20H25NO3
Molecular Weight327.40 g/mol
Exact Mass327.18
IUPAC Name(1S,12S,14R)-9-methoxy-4-(2-methylprop-2-enyl)-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
SMILESCC(=C)CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O
InChIInChI=1S/C20H25NO3/c1-13(2)11-21-9-8-20-7-6-15(22)10-17(20)24-19-16(23-3)5-4-14(12-21)18(19)20/h4-7,15,17,22H,1,8-12H2,2-3H3/t15-,17-,20-/m0/s1
InChIKeyFEKQBPRIVQKBRM-KNBMTAEXSA-N
XLogP3.10
TPSA41.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity533

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(-)-Galantamine
CID 9651
Galantamine Hydrobromide
CID 121587
N-Desmethylgalantamine
CID 9838394
Galantamin
CID 3449
Epigalantamine
CID 676392
Sanguinine
CID 443722
Hemanthamine
CID 441593
Crinamin
CID 500027
Lycoramine
CID 443723
Narwedine
CID 10356588
N-Allylnorgalanthamine
CID 44447598
Benzgalantamine
CID 44240142

Frequently Asked Questions

What is the IUPAC name of N-(14-methylallyl)norgalanthamine?
The IUPAC name of N-(14-methylallyl)norgalanthamine (CID 24863955) is (1S,12S,14R)-9-methoxy-4-(2-methylprop-2-enyl)-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol.
What is the SMILES notation for N-(14-methylallyl)norgalanthamine?
The canonical SMILES for N-(14-methylallyl)norgalanthamine is CC(=C)CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O.
What is the InChIKey of N-(14-methylallyl)norgalanthamine?
The InChIKey is FEKQBPRIVQKBRM-KNBMTAEXSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13(2)11-21-9-8-20-7-6-15(22)10-17(20)24-19-16(23-3)5-4-14(12-21)18(19)20/h4-7,15,17,22H,1,8-12H2,2-3H3/t15-,17-,20-/m0/s1.
What are the key properties of N-(14-methylallyl)norgalanthamine?
N-(14-methylallyl)norgalanthamine has a molecular weight of 327.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(14-methylallyl)norgalanthamine is sourced from PubChem (CID 24863955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).