8-ethyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride

C8H18Cl2N2 — CID 146380468

IUPAC8-ethyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
SMILESCCN1C2CCC1CNC2.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-2-10-7-3-4-8(10)6-9-5-7;;/h7-9H,2-6H2,1H3;2*1H
InChIKeyPUJRTSDUBXJDJU-UHFFFAOYSA-N
MW213.15 g/mol
LogP1.29
Rot. Bonds1

About 8-ethyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride

8-ethyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride (PubChem CID 146380468) has the molecular formula C8H18Cl2N2 and a molecular weight of 213.15 g/mol. Its IUPAC name is 8-ethyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride.

Molecular Properties

Compound Name8-ethyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
PubChem CID146380468
Molecular FormulaC8H18Cl2N2
Molecular Weight213.15 g/mol
Exact Mass212.08
IUPAC Name8-ethyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
SMILESCCN1C2CCC1CNC2.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-2-10-7-3-4-8(10)6-9-5-7;;/h7-9H,2-6H2,1H3;2*1H
InChIKeyPUJRTSDUBXJDJU-UHFFFAOYSA-N
XLogP1.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-ethyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride 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

1,4-Diazabicyclo[3.2.1]octane dihydrochloride
CID 12374078
3-Methyl-3,8-diazabicyclo(3.2.1)octane
CID 12378900
1-(1-Ethylpiperidin-4-yl)-1,4-diazepane
CID 61057953
2-Pyrrolidin-1-ylmethyl-piperidine
CID 2760541
6-Methyl-3,6-diazabicyclo(3.2.1)octane dihydrochloride
CID 13999282
8-Methyl-3,8-diazabicyclo(3.2.1)octane dihydrochloride
CID 22120189
3,8-Diazabicyclo(3.2.1)octane dihydrochloride
CID 22647870
1-(3-Pyrrolidinyl)piperidine dihydrochloride
CID 53407978
8-(Propan-2-yl)-3,8-diazabicyclo[3.2.1]octane
CID 57963913
1-[(3R)-pyrrolidin-3-yl]piperidine dihydrochloride
CID 66905717
1-((3S)-pyrrolidin-3-yl)piperidine dihydrochloride
CID 71464052
8-Methyl-3,8-diazabicyclo[3.2.1]octane
CID 422924

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride?
The IUPAC name of 8-ethyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride (CID 146380468) is 8-ethyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride.
What is the SMILES notation for 8-ethyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride?
The canonical SMILES for 8-ethyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride is CCN1C2CCC1CNC2.Cl.Cl.
What is the InChIKey of 8-ethyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride?
The InChIKey is PUJRTSDUBXJDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.2ClH/c1-2-10-7-3-4-8(10)6-9-5-7;;/h7-9H,2-6H2,1H3;2*1H.
What are the key properties of 8-ethyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride?
8-ethyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride has a molecular weight of 213.15 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride is sourced from PubChem (CID 146380468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).