(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride

C6H14Cl2N2 — CID 18658658

IUPAC(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride
SMILESCN1C[C@@H]2C[C@H]1CN2.Cl.Cl
InChIInChI=1S/C6H12N2.2ClH/c1-8-4-5-2-6(8)3-7-5;;/h5-7H,2-4H2,1H3;2*1H/t5-,6-;;/m0../s1
InChIKeyCPKLWCPJBAELNP-USPAICOZSA-N
MW185.10 g/mol
LogP0.51
Rot. Bonds

About (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride

(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride (PubChem CID 18658658) has the molecular formula C6H14Cl2N2 and a molecular weight of 185.10 g/mol. Its IUPAC name is (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride.

Molecular Properties

Compound Name(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride
PubChem CID18658658
Molecular FormulaC6H14Cl2N2
Molecular Weight185.10 g/mol
Exact Mass184.05
IUPAC Name(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride
SMILESCN1C[C@@H]2C[C@H]1CN2.Cl.Cl
InChIInChI=1S/C6H12N2.2ClH/c1-8-4-5-2-6(8)3-7-5;;/h5-7H,2-4H2,1H3;2*1H/t5-,6-;;/m0../s1
InChIKeyCPKLWCPJBAELNP-USPAICOZSA-N
XLogP0.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;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

(1S,4S)-2-Methyl-2,5-diazabicyclo[2.2.1]heptane
CID 11029795
2-Methyl-2,5-diazabicyclo(2.2.1)heptane dihydrochloride
CID 22924403
(1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide
CID 14612497
(1S)-2-methyl-2,5-diazobicyclo[2.2.1]heptane dihydrobromide
CID 15629279
(1R,4R)-2-ethyl-2,5-diazabicyclo(2.2.1)heptane
CID 11888012
(1S,4S)-2,5-diazabicyclo[2.2.1]heptane dihydrochloride
CID 14612498
(1R,4R)-2-Methyl-2,5-diazabicyclo[2.2.1]heptane
CID 15629280
(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide
CID 15629281
(1S,4S)-2-(propan-2-yl)-2,5-diazabicyclo(2.2.1)heptane
CID 24787295
1-(3-Pyrrolidinyl)piperidine dihydrochloride
CID 53407978
1-[(3R)-pyrrolidin-3-yl]piperidine dihydrochloride
CID 66905717
(1S,4S)-2-(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane dihydrochloride
CID 67389593

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride?
The IUPAC name of (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride (CID 18658658) is (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride.
What is the SMILES notation for (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride?
The canonical SMILES for (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride is CN1C[C@@H]2C[C@H]1CN2.Cl.Cl.
What is the InChIKey of (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride?
The InChIKey is CPKLWCPJBAELNP-USPAICOZSA-N. The full InChI is InChI=1S/C6H12N2.2ClH/c1-8-4-5-2-6(8)3-7-5;;/h5-7H,2-4H2,1H3;2*1H/t5-,6-;;/m0../s1.
What are the key properties of (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride?
(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride has a molecular weight of 185.10 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride is sourced from PubChem (CID 18658658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).