(1-aminopropylamino)-trimethylazanium

C6H18N3+ — CID 19898485

IUPAC(1-aminopropylamino)-trimethylazanium
SMILESCCC(N)N[N+](C)(C)C
InChIInChI=1S/C6H18N3/c1-5-6(7)8-9(2,3)4/h6,8H,5,7H2,1-4H3/q+1
InChIKeyOABOZNITZJKOQB-UHFFFAOYSA-N
MW132.23 g/mol
LogP-0.11
Rot. Bonds3

About (1-aminopropylamino)-trimethylazanium

(1-aminopropylamino)-trimethylazanium (PubChem CID 19898485) has the molecular formula C6H18N3+ and a molecular weight of 132.23 g/mol. Its IUPAC name is (1-aminopropylamino)-trimethylazanium.

Molecular Properties

Compound Name(1-aminopropylamino)-trimethylazanium
PubChem CID19898485
Molecular FormulaC6H18N3+
Molecular Weight132.23 g/mol
Exact Mass132.15
IUPAC Name(1-aminopropylamino)-trimethylazanium
SMILESCCC(N)N[N+](C)(C)C
InChIInChI=1S/C6H18N3/c1-5-6(7)8-9(2,3)4/h6,8H,5,7H2,1-4H3/q+1
InChIKeyOABOZNITZJKOQB-UHFFFAOYSA-N
XLogP-0.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 (1-aminopropylamino)-trimethylazanium?
The IUPAC name of (1-aminopropylamino)-trimethylazanium (CID 19898485) is (1-aminopropylamino)-trimethylazanium.
What is the SMILES notation for (1-aminopropylamino)-trimethylazanium?
The canonical SMILES for (1-aminopropylamino)-trimethylazanium is CCC(N)N[N+](C)(C)C.
What is the InChIKey of (1-aminopropylamino)-trimethylazanium?
The InChIKey is OABOZNITZJKOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N3/c1-5-6(7)8-9(2,3)4/h6,8H,5,7H2,1-4H3/q+1.
What are the key properties of (1-aminopropylamino)-trimethylazanium?
(1-aminopropylamino)-trimethylazanium has a molecular weight of 132.23 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminopropylamino)-trimethylazanium is sourced from PubChem (CID 19898485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).