3-but-2-enyl-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene

C23H27N — CID 170293933

IUPAC3-but-2-enyl-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene
SMILESCC=CCC1CC=CC2=C1c1nccc3c1=C(C(C)(C)C=3)C2(C)C
InChIInChI=1S/C23H27N/c1-6-7-9-15-10-8-11-17-18(15)20-19-16(12-13-24-20)14-22(2,3)21(19)23(17,4)5/h6-8,11-15H,9-10H2,1-5H3
InChIKeyNKOARPFYYXKXCL-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.39
Rot. Bonds2

About 3-but-2-enyl-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene

3-but-2-enyl-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene (PubChem CID 170293933) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is 3-but-2-enyl-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene.

Molecular Properties

Compound Name3-but-2-enyl-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene
PubChem CID170293933
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC Name3-but-2-enyl-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene
SMILESCC=CCC1CC=CC2=C1c1nccc3c1=C(C(C)(C)C=3)C2(C)C
InChIInChI=1S/C23H27N/c1-6-7-9-15-10-8-11-17-18(15)20-19-16(12-13-24-20)14-22(2,3)21(19)23(17,4)5/h6-8,11-15H,9-10H2,1-5H3
InChIKeyNKOARPFYYXKXCL-UHFFFAOYSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-but-2-enyl-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-but-2-enyl-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene?
The IUPAC name of 3-but-2-enyl-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene (CID 170293933) is 3-but-2-enyl-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene.
What is the SMILES notation for 3-but-2-enyl-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene?
The canonical SMILES for 3-but-2-enyl-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene is CC=CCC1CC=CC2=C1c1nccc3c1=C(C(C)(C)C=3)C2(C)C.
What is the InChIKey of 3-but-2-enyl-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene?
The InChIKey is NKOARPFYYXKXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N/c1-6-7-9-15-10-8-11-17-18(15)20-19-16(12-13-24-20)14-22(2,3)21(19)23(17,4)5/h6-8,11-15H,9-10H2,1-5H3.
What are the key properties of 3-but-2-enyl-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene?
3-but-2-enyl-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene has a molecular weight of 317.48 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enyl-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene is sourced from PubChem (CID 170293933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).