1,3-dimethyl-1,3-diazinane;dihydrochloride

C6H16Cl2N2 — CID 131874566

IUPAC1,3-dimethyl-1,3-diazinane;dihydrochloride
SMILESCN1CCCN(C)C1.Cl.Cl
InChIInChI=1S/C6H14N2.2ClH/c1-7-4-3-5-8(2)6-7;;/h3-6H2,1-2H3;2*1H
InChIKeyPZIUWQWAKZXYTL-UHFFFAOYSA-N
MW187.11 g/mol
LogP1.05
Rot. Bonds

About 1,3-dimethyl-1,3-diazinane;dihydrochloride

1,3-dimethyl-1,3-diazinane;dihydrochloride (PubChem CID 131874566) has the molecular formula C6H16Cl2N2 and a molecular weight of 187.11 g/mol. Its IUPAC name is 1,3-dimethyl-1,3-diazinane;dihydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-1,3-diazinane;dihydrochloride
PubChem CID131874566
Molecular FormulaC6H16Cl2N2
Molecular Weight187.11 g/mol
Exact Mass186.07
IUPAC Name1,3-dimethyl-1,3-diazinane;dihydrochloride
SMILESCN1CCCN(C)C1.Cl.Cl
InChIInChI=1S/C6H14N2.2ClH/c1-7-4-3-5-8(2)6-7;;/h3-6H2,1-2H3;2*1H
InChIKeyPZIUWQWAKZXYTL-UHFFFAOYSA-N
XLogP1.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,3-diazinane;dihydrochloride?
The IUPAC name of 1,3-dimethyl-1,3-diazinane;dihydrochloride (CID 131874566) is 1,3-dimethyl-1,3-diazinane;dihydrochloride.
What is the SMILES notation for 1,3-dimethyl-1,3-diazinane;dihydrochloride?
The canonical SMILES for 1,3-dimethyl-1,3-diazinane;dihydrochloride is CN1CCCN(C)C1.Cl.Cl.
What is the InChIKey of 1,3-dimethyl-1,3-diazinane;dihydrochloride?
The InChIKey is PZIUWQWAKZXYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.2ClH/c1-7-4-3-5-8(2)6-7;;/h3-6H2,1-2H3;2*1H.
What are the key properties of 1,3-dimethyl-1,3-diazinane;dihydrochloride?
1,3-dimethyl-1,3-diazinane;dihydrochloride has a molecular weight of 187.11 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3-diazinane;dihydrochloride is sourced from PubChem (CID 131874566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).