adamantane;1-azabicyclo[2.2.2]octane;spiro[2.5]oct-6-ene

C25H41N — CID 157220030

IUPACadamantane;1-azabicyclo[2.2.2]octane;spiro[2.5]oct-6-ene
SMILESC1=CCC2(CC1)CC2.C1C2CC3CC1CC(C2)C3.C1CN2CCC1CC2
InChIInChI=1S/C10H16.C8H12.C7H13N/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-4-8(5-3-1)6-7-8;1-4-8-5-2-7(1)3-6-8/h7-10H,1-6H2;1-2H,3-7H2;7H,1-6H2
InChIKeyASWIGHVKHCAWEN-UHFFFAOYSA-N
MW355.61 g/mol
LogP6.44
Rot. Bonds

About adamantane;1-azabicyclo[2.2.2]octane;spiro[2.5]oct-6-ene

adamantane;1-azabicyclo[2.2.2]octane;spiro[2.5]oct-6-ene (PubChem CID 157220030) has the molecular formula C25H41N and a molecular weight of 355.61 g/mol. Its IUPAC name is adamantane;1-azabicyclo[2.2.2]octane;spiro[2.5]oct-6-ene.

Molecular Properties

Compound Nameadamantane;1-azabicyclo[2.2.2]octane;spiro[2.5]oct-6-ene
PubChem CID157220030
Molecular FormulaC25H41N
Molecular Weight355.61 g/mol
Exact Mass355.32
IUPAC Nameadamantane;1-azabicyclo[2.2.2]octane;spiro[2.5]oct-6-ene
SMILESC1=CCC2(CC1)CC2.C1C2CC3CC1CC(C2)C3.C1CN2CCC1CC2
InChIInChI=1S/C10H16.C8H12.C7H13N/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-4-8(5-3-1)6-7-8;1-4-8-5-2-7(1)3-6-8/h7-10H,1-6H2;1-2H,3-7H2;7H,1-6H2
InChIKeyASWIGHVKHCAWEN-UHFFFAOYSA-N
XLogP6.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze adamantane;1-azabicyclo[2.2.2]octane;spiro[2.5]oct-6-ene with MolForge

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

Launch Full Analysis

Related Compounds

1-Propan-2-yladamantane;4-propan-2-yl-1-azabicyclo[2.2.2]octane;8-propan-2-ylspiro[2.5]oct-5-ene
CID 160851937

Frequently Asked Questions

What is the IUPAC name of adamantane;1-azabicyclo[2.2.2]octane;spiro[2.5]oct-6-ene?
The IUPAC name of adamantane;1-azabicyclo[2.2.2]octane;spiro[2.5]oct-6-ene (CID 157220030) is adamantane;1-azabicyclo[2.2.2]octane;spiro[2.5]oct-6-ene.
What is the SMILES notation for adamantane;1-azabicyclo[2.2.2]octane;spiro[2.5]oct-6-ene?
The canonical SMILES for adamantane;1-azabicyclo[2.2.2]octane;spiro[2.5]oct-6-ene is C1=CCC2(CC1)CC2.C1C2CC3CC1CC(C2)C3.C1CN2CCC1CC2.
What is the InChIKey of adamantane;1-azabicyclo[2.2.2]octane;spiro[2.5]oct-6-ene?
The InChIKey is ASWIGHVKHCAWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C8H12.C7H13N/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-4-8(5-3-1)6-7-8;1-4-8-5-2-7(1)3-6-8/h7-10H,1-6H2;1-2H,3-7H2;7H,1-6H2.
What are the key properties of adamantane;1-azabicyclo[2.2.2]octane;spiro[2.5]oct-6-ene?
adamantane;1-azabicyclo[2.2.2]octane;spiro[2.5]oct-6-ene has a molecular weight of 355.61 g/mol, XLogP of 6.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;1-azabicyclo[2.2.2]octane;spiro[2.5]oct-6-ene is sourced from PubChem (CID 157220030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).