8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol

C17H34N2O — CID 63768757

IUPAC8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCNCC(C)(CCC)CN1C2CCC1CC(O)C2
InChIInChI=1S/C17H34N2O/c1-4-8-17(3,12-18-9-5-2)13-19-14-6-7-15(19)11-16(20)10-14/h14-16,18,20H,4-13H2,1-3H3
InChIKeyNQTQOIWQDRVBFF-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.78
Rot. Bonds8

About 8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63768757) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63768757
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCNCC(C)(CCC)CN1C2CCC1CC(O)C2
InChIInChI=1S/C17H34N2O/c1-4-8-17(3,12-18-9-5-2)13-19-14-6-7-15(19)11-16(20)10-14/h14-16,18,20H,4-13H2,1-3H3
InChIKeyNQTQOIWQDRVBFF-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol 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 8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63768757) is 8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol is CCCNCC(C)(CCC)CN1C2CCC1CC(O)C2.
What is the InChIKey of 8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is NQTQOIWQDRVBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-8-17(3,12-18-9-5-2)13-19-14-6-7-15(19)11-16(20)10-14/h14-16,18,20H,4-13H2,1-3H3.
What are the key properties of 8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 282.47 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-methyl-2-(propylaminomethyl)pentyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63768757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).