2-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile;hydrochloride

C10H17ClN2 — CID 135125453

IUPAC2-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile;hydrochloride
SMILESCl.N#CCC12CCC(N)(CC1)CC2
InChIInChI=1S/C10H16N2.ClH/c11-8-7-9-1-4-10(12,5-2-9)6-3-9;/h1-7,12H2;1H
InChIKeyQOWPJFPWLLDDCW-UHFFFAOYSA-N
MW200.71 g/mol
LogP2.37
Rot. Bonds1

About 2-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile;hydrochloride

2-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile;hydrochloride (PubChem CID 135125453) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is 2-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile;hydrochloride
PubChem CID135125453
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name2-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile;hydrochloride
SMILESCl.N#CCC12CCC(N)(CC1)CC2
InChIInChI=1S/C10H16N2.ClH/c11-8-7-9-1-4-10(12,5-2-9)6-3-9;/h1-7,12H2;1H
InChIKeyQOWPJFPWLLDDCW-UHFFFAOYSA-N
XLogP2.37
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile;hydrochloride 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-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile;hydrochloride?
The IUPAC name of 2-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile;hydrochloride (CID 135125453) is 2-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile;hydrochloride.
What is the SMILES notation for 2-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile;hydrochloride?
The canonical SMILES for 2-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile;hydrochloride is Cl.N#CCC12CCC(N)(CC1)CC2.
What is the InChIKey of 2-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile;hydrochloride?
The InChIKey is QOWPJFPWLLDDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.ClH/c11-8-7-9-1-4-10(12,5-2-9)6-3-9;/h1-7,12H2;1H.
What are the key properties of 2-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile;hydrochloride?
2-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile;hydrochloride has a molecular weight of 200.71 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-bicyclo[2.2.2]octanyl)acetonitrile;hydrochloride is sourced from PubChem (CID 135125453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).