2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol

C14H26N2O — CID 113284861

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol
SMILESOC1CCCCCC1N1CCC2CCC(C1)N2
InChIInChI=1S/C14H26N2O/c17-14-5-3-1-2-4-13(14)16-9-8-11-6-7-12(10-16)15-11/h11-15,17H,1-10H2
InChIKeyCNODJFWLUZPHTA-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.51
Rot. Bonds1

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol (PubChem CID 113284861) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol
PubChem CID113284861
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol
SMILESOC1CCCCCC1N1CCC2CCC(C1)N2
InChIInChI=1S/C14H26N2O/c17-14-5-3-1-2-4-13(14)16-9-8-11-6-7-12(10-16)15-11/h11-15,17H,1-10H2
InChIKeyCNODJFWLUZPHTA-UHFFFAOYSA-N
XLogP1.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-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 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol (CID 113284861) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol is OC1CCCCCC1N1CCC2CCC(C1)N2.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol?
The InChIKey is CNODJFWLUZPHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c17-14-5-3-1-2-4-13(14)16-9-8-11-6-7-12(10-16)15-11/h11-15,17H,1-10H2.
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol?
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptan-1-ol is sourced from PubChem (CID 113284861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).