1,4-dimethylpiperazin-1-ium-1,2-diamine

C6H17N4+ — CID 91324979

IUPAC1,4-dimethylpiperazin-1-ium-1,2-diamine
SMILESCN1CC[N+](C)(N)C(N)C1
InChIInChI=1S/C6H17N4/c1-9-3-4-10(2,8)6(7)5-9/h6H,3-5,7-8H2,1-2H3/q+1
InChIKeyCGVHTQZZLOIUTO-UHFFFAOYSA-N
MW145.23 g/mol
LogP-1.46
Rot. Bonds

About 1,4-dimethylpiperazin-1-ium-1,2-diamine

1,4-dimethylpiperazin-1-ium-1,2-diamine (PubChem CID 91324979) has the molecular formula C6H17N4+ and a molecular weight of 145.23 g/mol. Its IUPAC name is 1,4-dimethylpiperazin-1-ium-1,2-diamine.

Molecular Properties

Compound Name1,4-dimethylpiperazin-1-ium-1,2-diamine
PubChem CID91324979
Molecular FormulaC6H17N4+
Molecular Weight145.23 g/mol
Exact Mass145.14
IUPAC Name1,4-dimethylpiperazin-1-ium-1,2-diamine
SMILESCN1CC[N+](C)(N)C(N)C1
InChIInChI=1S/C6H17N4/c1-9-3-4-10(2,8)6(7)5-9/h6H,3-5,7-8H2,1-2H3/q+1
InChIKeyCGVHTQZZLOIUTO-UHFFFAOYSA-N
XLogP-1.46
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1,1,2,4-tetramethylpiperazin-1-ium
CID 159105813
1,4,7-trimethyl-2,3,5,6,8,8a-hexahydroimidazo[1,2-a]pyrazin-4-ium
CID 11601256
(4R)-1-methylpiperidine-3,4-diamine
CID 145189555
ethane;4-methyl-1,4-oxazepan-6-amine
CID 178036626
1-methylpyrrolidin-3-amine;sulfanol
CID 143564913
1,4,7-trimethyl-1,4,7-triazonan-2-amine
CID 91169471
1-methyl-4-(1-methylpyrrolidin-3-yl)-1,4-diazoniabicyclo[2.2.2]octane
CID 21340666
ethane;1-methylpiperidin-4-amine
CID 123622295
(3R,4R)-1,3-dimethylpiperidin-4-amine
CID 98186941
(4R)-1-methylazocan-4-amine
CID 166102588
cyclobutanamine;1-methylpyrrolidine
CID 167503696
1,3-dimethylpiperidin-4-amine;dihydrochloride
CID 53407082

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazin-1-ium-1,2-diamine?
The IUPAC name of 1,4-dimethylpiperazin-1-ium-1,2-diamine (CID 91324979) is 1,4-dimethylpiperazin-1-ium-1,2-diamine.
What is the SMILES notation for 1,4-dimethylpiperazin-1-ium-1,2-diamine?
The canonical SMILES for 1,4-dimethylpiperazin-1-ium-1,2-diamine is CN1CC[N+](C)(N)C(N)C1.
What is the InChIKey of 1,4-dimethylpiperazin-1-ium-1,2-diamine?
The InChIKey is CGVHTQZZLOIUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N4/c1-9-3-4-10(2,8)6(7)5-9/h6H,3-5,7-8H2,1-2H3/q+1.
What are the key properties of 1,4-dimethylpiperazin-1-ium-1,2-diamine?
1,4-dimethylpiperazin-1-ium-1,2-diamine has a molecular weight of 145.23 g/mol, XLogP of -1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazin-1-ium-1,2-diamine is sourced from PubChem (CID 91324979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).