(1R,5S)-6-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride

C14H26Cl2N4O — CID 154914501

IUPAC(1R,5S)-6-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride
SMILESCOCCn1cncc1CN1C[C@@H]2CC[C@H]1CNC2.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-19-5-4-17-11-16-8-14(17)10-18-9-12-2-3-13(18)7-15-6-12;;/h8,11-13,15H,2-7,9-10H2,1H3;2*1H/t12-,13+;;/m1../s1
InChIKeyKCXPTHINACPRIH-VAALMUBNSA-N
MW337.30 g/mol
LogP1.56
Rot. Bonds5

About (1R,5S)-6-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride

(1R,5S)-6-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride (PubChem CID 154914501) has the molecular formula C14H26Cl2N4O and a molecular weight of 337.30 g/mol. Its IUPAC name is (1R,5S)-6-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride.

Molecular Properties

Compound Name(1R,5S)-6-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride
PubChem CID154914501
Molecular FormulaC14H26Cl2N4O
Molecular Weight337.30 g/mol
Exact Mass336.15
IUPAC Name(1R,5S)-6-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride
SMILESCOCCn1cncc1CN1C[C@@H]2CC[C@H]1CNC2.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-19-5-4-17-11-16-8-14(17)10-18-9-12-2-3-13(18)7-15-6-12;;/h8,11-13,15H,2-7,9-10H2,1H3;2*1H/t12-,13+;;/m1../s1
InChIKeyKCXPTHINACPRIH-VAALMUBNSA-N
XLogP1.56
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,5S)-6-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride 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 (1R,5S)-6-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride?
The IUPAC name of (1R,5S)-6-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride (CID 154914501) is (1R,5S)-6-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride.
What is the SMILES notation for (1R,5S)-6-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride?
The canonical SMILES for (1R,5S)-6-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride is COCCn1cncc1CN1C[C@@H]2CC[C@H]1CNC2.Cl.Cl.
What is the InChIKey of (1R,5S)-6-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride?
The InChIKey is KCXPTHINACPRIH-VAALMUBNSA-N. The full InChI is InChI=1S/C14H24N4O.2ClH/c1-19-5-4-17-11-16-8-14(17)10-18-9-12-2-3-13(18)7-15-6-12;;/h8,11-13,15H,2-7,9-10H2,1H3;2*1H/t12-,13+;;/m1../s1.
What are the key properties of (1R,5S)-6-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride?
(1R,5S)-6-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride has a molecular weight of 337.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride is sourced from PubChem (CID 154914501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).