trimethyl-[3-(propan-2-ylamino)propyl]azanium chloride

C9H23ClN2 — CID 175113777

IUPACtrimethyl-[3-(propan-2-ylamino)propyl]azanium chloride
SMILESCC(C)NCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C9H23N2.ClH/c1-9(2)10-7-6-8-11(3,4)5;/h9-10H,6-8H2,1-5H3;1H/q+1;/p-1
InChIKeyIZJQDXGDCHRFFY-UHFFFAOYSA-M
MW194.75 g/mol
LogP-1.92
Rot. Bonds5

About trimethyl-[3-(propan-2-ylamino)propyl]azanium chloride

trimethyl-[3-(propan-2-ylamino)propyl]azanium chloride (PubChem CID 175113777) has the molecular formula C9H23ClN2 and a molecular weight of 194.75 g/mol. Its IUPAC name is trimethyl-[3-(propan-2-ylamino)propyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[3-(propan-2-ylamino)propyl]azanium chloride
PubChem CID175113777
Molecular FormulaC9H23ClN2
Molecular Weight194.75 g/mol
Exact Mass194.15
IUPAC Nametrimethyl-[3-(propan-2-ylamino)propyl]azanium chloride
SMILESCC(C)NCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C9H23N2.ClH/c1-9(2)10-7-6-8-11(3,4)5;/h9-10H,6-8H2,1-5H3;1H/q+1;/p-1
InChIKeyIZJQDXGDCHRFFY-UHFFFAOYSA-M
XLogP-1.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.75
LogP ≤ 5-1.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(propan-2-ylamino)propyl]azanium chloride?
The IUPAC name of trimethyl-[3-(propan-2-ylamino)propyl]azanium chloride (CID 175113777) is trimethyl-[3-(propan-2-ylamino)propyl]azanium chloride.
What is the SMILES notation for trimethyl-[3-(propan-2-ylamino)propyl]azanium chloride?
The canonical SMILES for trimethyl-[3-(propan-2-ylamino)propyl]azanium chloride is CC(C)NCCC[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[3-(propan-2-ylamino)propyl]azanium chloride?
The InChIKey is IZJQDXGDCHRFFY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H23N2.ClH/c1-9(2)10-7-6-8-11(3,4)5;/h9-10H,6-8H2,1-5H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[3-(propan-2-ylamino)propyl]azanium chloride?
trimethyl-[3-(propan-2-ylamino)propyl]azanium chloride has a molecular weight of 194.75 g/mol, XLogP of -1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(propan-2-ylamino)propyl]azanium chloride is sourced from PubChem (CID 175113777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).