4-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)butanimidamide

C11H26N4+2 — CID 21340645

IUPAC4-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCC[N+]1(C)CC[N+](C)(C)CC1
InChIInChI=1S/C11H26N4/c1-14(2)7-9-15(3,10-8-14)6-4-5-11(12)13/h4-10H2,1-3H3,(H3,12,13)/q+2
InChIKeyGWJGTMDOBDFBQW-UHFFFAOYSA-N
MW214.36 g/mol
LogP0.24
Rot. Bonds4

About 4-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)butanimidamide

4-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)butanimidamide (PubChem CID 21340645) has the molecular formula C11H26N4+2 and a molecular weight of 214.36 g/mol. Its IUPAC name is 4-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)butanimidamide.

Molecular Properties

Compound Name4-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)butanimidamide
PubChem CID21340645
Molecular FormulaC11H26N4+2
Molecular Weight214.36 g/mol
Exact Mass214.21
IUPAC Name4-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCC[N+]1(C)CC[N+](C)(C)CC1
InChIInChI=1S/C11H26N4/c1-14(2)7-9-15(3,10-8-14)6-4-5-11(12)13/h4-10H2,1-3H3,(H3,12,13)/q+2
InChIKeyGWJGTMDOBDFBQW-UHFFFAOYSA-N
XLogP0.24
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)butanimidamide?
The IUPAC name of 4-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)butanimidamide (CID 21340645) is 4-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)butanimidamide.
What is the SMILES notation for 4-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)butanimidamide?
The canonical SMILES for 4-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)butanimidamide is [H]/N=C(\N)CCC[N+]1(C)CC[N+](C)(C)CC1.
What is the InChIKey of 4-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)butanimidamide?
The InChIKey is GWJGTMDOBDFBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-14(2)7-9-15(3,10-8-14)6-4-5-11(12)13/h4-10H2,1-3H3,(H3,12,13)/q+2.
What are the key properties of 4-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)butanimidamide?
4-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)butanimidamide has a molecular weight of 214.36 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)butanimidamide is sourced from PubChem (CID 21340645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).