amino(tripropyl)azanium chloride

C9H23ClN2 — CID 21282502

IUPACamino(tripropyl)azanium chloride
SMILESCCC[N+](N)(CCC)CCC.[Cl-]
InChIInChI=1S/C9H23N2.ClH/c1-4-7-11(10,8-5-2)9-6-3;/h4-10H2,1-3H3;1H/q+1;/p-1
InChIKeyZWQQOWRPOOUUBX-UHFFFAOYSA-M
MW194.75 g/mol
LogP-1.09
Rot. Bonds6

About amino(tripropyl)azanium chloride

amino(tripropyl)azanium chloride (PubChem CID 21282502) has the molecular formula C9H23ClN2 and a molecular weight of 194.75 g/mol. Its IUPAC name is amino(tripropyl)azanium chloride.

Molecular Properties

Compound Nameamino(tripropyl)azanium chloride
PubChem CID21282502
Molecular FormulaC9H23ClN2
Molecular Weight194.75 g/mol
Exact Mass194.15
IUPAC Nameamino(tripropyl)azanium chloride
SMILESCCC[N+](N)(CCC)CCC.[Cl-]
InChIInChI=1S/C9H23N2.ClH/c1-4-7-11(10,8-5-2)9-6-3;/h4-10H2,1-3H3;1H/q+1;/p-1
InChIKeyZWQQOWRPOOUUBX-UHFFFAOYSA-M
XLogP-1.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.75
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino(tripropyl)azanium chloride?
The IUPAC name of amino(tripropyl)azanium chloride (CID 21282502) is amino(tripropyl)azanium chloride.
What is the SMILES notation for amino(tripropyl)azanium chloride?
The canonical SMILES for amino(tripropyl)azanium chloride is CCC[N+](N)(CCC)CCC.[Cl-].
What is the InChIKey of amino(tripropyl)azanium chloride?
The InChIKey is ZWQQOWRPOOUUBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H23N2.ClH/c1-4-7-11(10,8-5-2)9-6-3;/h4-10H2,1-3H3;1H/q+1;/p-1.
What are the key properties of amino(tripropyl)azanium chloride?
amino(tripropyl)azanium chloride has a molecular weight of 194.75 g/mol, XLogP of -1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino(tripropyl)azanium chloride is sourced from PubChem (CID 21282502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).