3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine

C24H29N3O — CID 67720986

IUPAC3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine
SMILESNCCCn1c2ccccc2c2ccc(OC/C=C3/CN4CCC3CC4)cc21
InChIInChI=1S/C24H29N3O/c25-11-3-12-27-23-5-2-1-4-21(23)22-7-6-20(16-24(22)27)28-15-10-19-17-26-13-8-18(19)9-14-26/h1-2,4-7,10,16,18H,3,8-9,11-15,17,25H2/b19-10-
InChIKeyIJHLQKLPPQWAOR-GRSHGNNSSA-N
MW375.52 g/mol
LogP4.17
Rot. Bonds6

About 3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine

3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine (PubChem CID 67720986) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine
PubChem CID67720986
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine
SMILESNCCCn1c2ccccc2c2ccc(OC/C=C3/CN4CCC3CC4)cc21
InChIInChI=1S/C24H29N3O/c25-11-3-12-27-23-5-2-1-4-21(23)22-7-6-20(16-24(22)27)28-15-10-19-17-26-13-8-18(19)9-14-26/h1-2,4-7,10,16,18H,3,8-9,11-15,17,25H2/b19-10-
InChIKeyIJHLQKLPPQWAOR-GRSHGNNSSA-N
XLogP4.17
TPSA43.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine?
The IUPAC name of 3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine (CID 67720986) is 3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine?
The canonical SMILES for 3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine is NCCCn1c2ccccc2c2ccc(OC/C=C3/CN4CCC3CC4)cc21.
What is the InChIKey of 3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine?
The InChIKey is IJHLQKLPPQWAOR-GRSHGNNSSA-N. The full InChI is InChI=1S/C24H29N3O/c25-11-3-12-27-23-5-2-1-4-21(23)22-7-6-20(16-24(22)27)28-15-10-19-17-26-13-8-18(19)9-14-26/h1-2,4-7,10,16,18H,3,8-9,11-15,17,25H2/b19-10-.
What are the key properties of 3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine?
3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine has a molecular weight of 375.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]carbazol-9-yl]propan-1-amine is sourced from PubChem (CID 67720986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).