3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propanimidamide

C10H24N4+2 — CID 21340611

IUPAC3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propanimidamide
SMILES[H]/N=C(\N)CC[N+]1(C)CC[N+](C)(C)CC1
InChIInChI=1S/C10H24N4/c1-13(2)6-8-14(3,9-7-13)5-4-10(11)12/h4-9H2,1-3H3,(H3,11,12)/q+2
InChIKeyWTYFANHRFXHGKA-UHFFFAOYSA-N
MW200.33 g/mol
LogP-0.15
Rot. Bonds3

About 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propanimidamide

3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propanimidamide (PubChem CID 21340611) has the molecular formula C10H24N4+2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propanimidamide.

Molecular Properties

Compound Name3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propanimidamide
PubChem CID21340611
Molecular FormulaC10H24N4+2
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propanimidamide
SMILES[H]/N=C(\N)CC[N+]1(C)CC[N+](C)(C)CC1
InChIInChI=1S/C10H24N4/c1-13(2)6-8-14(3,9-7-13)5-4-10(11)12/h4-9H2,1-3H3,(H3,11,12)/q+2
InChIKeyWTYFANHRFXHGKA-UHFFFAOYSA-N
XLogP-0.15
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 5-0.15
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 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propanimidamide?
The IUPAC name of 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propanimidamide (CID 21340611) is 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propanimidamide.
What is the SMILES notation for 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propanimidamide?
The canonical SMILES for 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propanimidamide is [H]/N=C(\N)CC[N+]1(C)CC[N+](C)(C)CC1.
What is the InChIKey of 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propanimidamide?
The InChIKey is WTYFANHRFXHGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-13(2)6-8-14(3,9-7-13)5-4-10(11)12/h4-9H2,1-3H3,(H3,11,12)/q+2.
What are the key properties of 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propanimidamide?
3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propanimidamide has a molecular weight of 200.33 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propanimidamide is sourced from PubChem (CID 21340611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).