dimethyl-[3-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]propyl]azanium

C11H28N3+3 — CID 7015897

IUPACdimethyl-[3-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]propyl]azanium
SMILESC[NH+](C)CCC[NH2+]C1CC[NH+](C)CC1
InChIInChI=1S/C11H25N3/c1-13(2)8-4-7-12-11-5-9-14(3)10-6-11/h11-12H,4-10H2,1-3H3/p+3
InChIKeyPUDVDBBVMUOLCI-UHFFFAOYSA-Q
MW202.37 g/mol
LogP-3.24
Rot. Bonds5

About dimethyl-[3-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]propyl]azanium

dimethyl-[3-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]propyl]azanium (PubChem CID 7015897) has the molecular formula C11H28N3+3 and a molecular weight of 202.37 g/mol. Its IUPAC name is dimethyl-[3-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]propyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]propyl]azanium
PubChem CID7015897
Molecular FormulaC11H28N3+3
Molecular Weight202.37 g/mol
Exact Mass202.23
IUPAC Namedimethyl-[3-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]propyl]azanium
SMILESC[NH+](C)CCC[NH2+]C1CC[NH+](C)CC1
InChIInChI=1S/C11H25N3/c1-13(2)8-4-7-12-11-5-9-14(3)10-6-11/h11-12H,4-10H2,1-3H3/p+3
InChIKeyPUDVDBBVMUOLCI-UHFFFAOYSA-Q
XLogP-3.24
TPSA25.49 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 5-3.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]propyl]azanium?
The IUPAC name of dimethyl-[3-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]propyl]azanium (CID 7015897) is dimethyl-[3-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]propyl]azanium.
What is the SMILES notation for dimethyl-[3-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]propyl]azanium?
The canonical SMILES for dimethyl-[3-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]propyl]azanium is C[NH+](C)CCC[NH2+]C1CC[NH+](C)CC1.
What is the InChIKey of dimethyl-[3-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]propyl]azanium?
The InChIKey is PUDVDBBVMUOLCI-UHFFFAOYSA-Q. The full InChI is InChI=1S/C11H25N3/c1-13(2)8-4-7-12-11-5-9-14(3)10-6-11/h11-12H,4-10H2,1-3H3/p+3.
What are the key properties of dimethyl-[3-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]propyl]azanium?
dimethyl-[3-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]propyl]azanium has a molecular weight of 202.37 g/mol, XLogP of -3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]propyl]azanium is sourced from PubChem (CID 7015897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).