5-methyl-1,4-diazepane;dihydrochloride

C6H16Cl2N2 — CID 75530243

IUPAC5-methyl-1,4-diazepane;dihydrochloride
SMILESCC1CCNCCN1.Cl.Cl
InChIInChI=1S/C6H14N2.2ClH/c1-6-2-3-7-4-5-8-6;;/h6-8H,2-5H2,1H3;2*1H
InChIKeyDBSNHHJBAPATCL-UHFFFAOYSA-N
MW187.11 g/mol
LogP0.80
Rot. Bonds

About 5-methyl-1,4-diazepane;dihydrochloride

5-methyl-1,4-diazepane;dihydrochloride (PubChem CID 75530243) has the molecular formula C6H16Cl2N2 and a molecular weight of 187.11 g/mol. Its IUPAC name is 5-methyl-1,4-diazepane;dihydrochloride.

Molecular Properties

Compound Name5-methyl-1,4-diazepane;dihydrochloride
PubChem CID75530243
Molecular FormulaC6H16Cl2N2
Molecular Weight187.11 g/mol
Exact Mass186.07
IUPAC Name5-methyl-1,4-diazepane;dihydrochloride
SMILESCC1CCNCCN1.Cl.Cl
InChIInChI=1S/C6H14N2.2ClH/c1-6-2-3-7-4-5-8-6;;/h6-8H,2-5H2,1H3;2*1H
InChIKeyDBSNHHJBAPATCL-UHFFFAOYSA-N
XLogP0.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-methyl-1,4-diazepane;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

trans-(5R,12R)-5,12-dimethyl-1,4,8,11-tetrazacyclotetradecane
CID 95242676
2-methyl-1,5,9-triazacyclododecane
CID 22113611
trans-(2S,8S)-2,8-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 14942559
trans-(2S,3S)-2,3-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 10893941
azane;2-methylpiperazine;dihydrochloride
CID 174255785
4,5-dimethylazepane
CID 83679426
(1R,4S,12S,15R)-4,12-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane
CID 59936349
3-methyl-1,4,7,10-tetrazacyclotridecane
CID 134246892
1,4-diazepan-5-amine
CID 147823737
2-methylpiperazine;hydrate
CID 141084178
(5S)-2,5-dimethyl-1,4-diazepane
CID 143410890
5-tert-butyl-1,4-diazepane
CID 167270425

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,4-diazepane;dihydrochloride?
The IUPAC name of 5-methyl-1,4-diazepane;dihydrochloride (CID 75530243) is 5-methyl-1,4-diazepane;dihydrochloride.
What is the SMILES notation for 5-methyl-1,4-diazepane;dihydrochloride?
The canonical SMILES for 5-methyl-1,4-diazepane;dihydrochloride is CC1CCNCCN1.Cl.Cl.
What is the InChIKey of 5-methyl-1,4-diazepane;dihydrochloride?
The InChIKey is DBSNHHJBAPATCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.2ClH/c1-6-2-3-7-4-5-8-6;;/h6-8H,2-5H2,1H3;2*1H.
What are the key properties of 5-methyl-1,4-diazepane;dihydrochloride?
5-methyl-1,4-diazepane;dihydrochloride has a molecular weight of 187.11 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,4-diazepane;dihydrochloride is sourced from PubChem (CID 75530243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).