(1-aminopropylamino)-trimethylazanium chloride

C6H18ClN3 — CID 19898484

IUPAC(1-aminopropylamino)-trimethylazanium chloride
SMILESCCC(N)N[N+](C)(C)C.[Cl-]
InChIInChI=1S/C6H18N3.ClH/c1-5-6(7)8-9(2,3)4;/h6,8H,5,7H2,1-4H3;1H/q+1;/p-1
InChIKeyBMMHEELAQCOACZ-UHFFFAOYSA-M
MW167.68 g/mol
LogP-3.10
Rot. Bonds3

About (1-aminopropylamino)-trimethylazanium chloride

(1-aminopropylamino)-trimethylazanium chloride (PubChem CID 19898484) has the molecular formula C6H18ClN3 and a molecular weight of 167.68 g/mol. Its IUPAC name is (1-aminopropylamino)-trimethylazanium chloride.

Molecular Properties

Compound Name(1-aminopropylamino)-trimethylazanium chloride
PubChem CID19898484
Molecular FormulaC6H18ClN3
Molecular Weight167.68 g/mol
Exact Mass167.12
IUPAC Name(1-aminopropylamino)-trimethylazanium chloride
SMILESCCC(N)N[N+](C)(C)C.[Cl-]
InChIInChI=1S/C6H18N3.ClH/c1-5-6(7)8-9(2,3)4;/h6,8H,5,7H2,1-4H3;1H/q+1;/p-1
InChIKeyBMMHEELAQCOACZ-UHFFFAOYSA-M
XLogP-3.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.68
LogP ≤ 5-3.10
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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Related Compounds

(1-Aminopropylamino)-trimethylazanium
CID 19898485
1-(2,2-Dimethylhydrazinyl)propan-1-amine
CID 20451703
1-(2,2-Dimethylhydrazinyl)ethanamine
CID 22460097
Trimethyl(propylamino)azanium
CID 88396407
2-[(2-Ethylhydrazinyl)methyl]-1,1-dimethylhydrazine
CID 90243433
1-[ethylamino(methyl)amino]-N,N-dimethylmethanamine
CID 90747365
N,N-dimethyl-1-(2-methyl-2-propylhydrazinyl)ethanamine
CID 123436243
2-[1-(2,2-Dimethylhydrazinyl)ethyl]-1,1-dimethylhydrazine
CID 123822875
1-hydrazinyl-N,N-dimethylethanamine;hydrochloride
CID 134498067
Amino-(1-aminopropyl)-dimethylazanium
CID 163786102
[Ethyl-[methyl(propylamino)amino]amino]methanamine
CID 164071508
Trimethyl-[1-(2-methylhydrazinyl)ethyl]azanium
CID 164151476

Frequently Asked Questions

What is the IUPAC name of (1-aminopropylamino)-trimethylazanium chloride?
The IUPAC name of (1-aminopropylamino)-trimethylazanium chloride (CID 19898484) is (1-aminopropylamino)-trimethylazanium chloride.
What is the SMILES notation for (1-aminopropylamino)-trimethylazanium chloride?
The canonical SMILES for (1-aminopropylamino)-trimethylazanium chloride is CCC(N)N[N+](C)(C)C.[Cl-].
What is the InChIKey of (1-aminopropylamino)-trimethylazanium chloride?
The InChIKey is BMMHEELAQCOACZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H18N3.ClH/c1-5-6(7)8-9(2,3)4;/h6,8H,5,7H2,1-4H3;1H/q+1;/p-1.
What are the key properties of (1-aminopropylamino)-trimethylazanium chloride?
(1-aminopropylamino)-trimethylazanium chloride has a molecular weight of 167.68 g/mol, XLogP of -3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminopropylamino)-trimethylazanium chloride is sourced from PubChem (CID 19898484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).