6-(4,4-dimethylpiperazin-4-ium-1-yl)-3-imino-4,5-dihydro-2H-pyridin-5-amine

C11H22N5+ — CID 123223581

IUPAC6-(4,4-dimethylpiperazin-4-ium-1-yl)-3-imino-4,5-dihydro-2H-pyridin-5-amine
SMILES[H]/N=C1\CN=C(N2CC[N+](C)(C)CC2)C(N)C1
InChIInChI=1S/C11H22N5/c1-16(2)5-3-15(4-6-16)11-10(13)7-9(12)8-14-11/h10,12H,3-8,13H2,1-2H3/q+1/b12-9-
InChIKeyAHHDCRCASQPBLR-XFXZXTDPSA-N
MW224.33 g/mol
LogP-0.47
Rot. Bonds

About 6-(4,4-dimethylpiperazin-4-ium-1-yl)-3-imino-4,5-dihydro-2H-pyridin-5-amine

6-(4,4-dimethylpiperazin-4-ium-1-yl)-3-imino-4,5-dihydro-2H-pyridin-5-amine (PubChem CID 123223581) has the molecular formula C11H22N5+ and a molecular weight of 224.33 g/mol. Its IUPAC name is 6-(4,4-dimethylpiperazin-4-ium-1-yl)-3-imino-4,5-dihydro-2H-pyridin-5-amine.

Molecular Properties

Compound Name6-(4,4-dimethylpiperazin-4-ium-1-yl)-3-imino-4,5-dihydro-2H-pyridin-5-amine
PubChem CID123223581
Molecular FormulaC11H22N5+
Molecular Weight224.33 g/mol
Exact Mass224.19
IUPAC Name6-(4,4-dimethylpiperazin-4-ium-1-yl)-3-imino-4,5-dihydro-2H-pyridin-5-amine
SMILES[H]/N=C1\CN=C(N2CC[N+](C)(C)CC2)C(N)C1
InChIInChI=1S/C11H22N5/c1-16(2)5-3-15(4-6-16)11-10(13)7-9(12)8-14-11/h10,12H,3-8,13H2,1-2H3/q+1/b12-9-
InChIKeyAHHDCRCASQPBLR-XFXZXTDPSA-N
XLogP-0.47
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylpiperazin-4-ium-1-yl)-3-imino-4,5-dihydro-2H-pyridin-5-amine?
The IUPAC name of 6-(4,4-dimethylpiperazin-4-ium-1-yl)-3-imino-4,5-dihydro-2H-pyridin-5-amine (CID 123223581) is 6-(4,4-dimethylpiperazin-4-ium-1-yl)-3-imino-4,5-dihydro-2H-pyridin-5-amine.
What is the SMILES notation for 6-(4,4-dimethylpiperazin-4-ium-1-yl)-3-imino-4,5-dihydro-2H-pyridin-5-amine?
The canonical SMILES for 6-(4,4-dimethylpiperazin-4-ium-1-yl)-3-imino-4,5-dihydro-2H-pyridin-5-amine is [H]/N=C1\CN=C(N2CC[N+](C)(C)CC2)C(N)C1.
What is the InChIKey of 6-(4,4-dimethylpiperazin-4-ium-1-yl)-3-imino-4,5-dihydro-2H-pyridin-5-amine?
The InChIKey is AHHDCRCASQPBLR-XFXZXTDPSA-N. The full InChI is InChI=1S/C11H22N5/c1-16(2)5-3-15(4-6-16)11-10(13)7-9(12)8-14-11/h10,12H,3-8,13H2,1-2H3/q+1/b12-9-.
What are the key properties of 6-(4,4-dimethylpiperazin-4-ium-1-yl)-3-imino-4,5-dihydro-2H-pyridin-5-amine?
6-(4,4-dimethylpiperazin-4-ium-1-yl)-3-imino-4,5-dihydro-2H-pyridin-5-amine has a molecular weight of 224.33 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylpiperazin-4-ium-1-yl)-3-imino-4,5-dihydro-2H-pyridin-5-amine is sourced from PubChem (CID 123223581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).