amino-(1-aminopropyl)-dimethylazanium

C5H16N3+ — CID 163786102

IUPACamino-(1-aminopropyl)-dimethylazanium
SMILESCCC(N)[N+](C)(C)N
InChIInChI=1S/C5H16N3/c1-4-5(6)8(2,3)7/h5H,4,6-7H2,1-3H3/q+1
InChIKeyLIBWJONQPAZRHH-UHFFFAOYSA-N
MW118.20 g/mol
LogP-0.37
Rot. Bonds2

About amino-(1-aminopropyl)-dimethylazanium

amino-(1-aminopropyl)-dimethylazanium (PubChem CID 163786102) has the molecular formula C5H16N3+ and a molecular weight of 118.20 g/mol. Its IUPAC name is amino-(1-aminopropyl)-dimethylazanium.

Molecular Properties

Compound Nameamino-(1-aminopropyl)-dimethylazanium
PubChem CID163786102
Molecular FormulaC5H16N3+
Molecular Weight118.20 g/mol
Exact Mass118.13
IUPAC Nameamino-(1-aminopropyl)-dimethylazanium
SMILESCCC(N)[N+](C)(C)N
InChIInChI=1S/C5H16N3/c1-4-5(6)8(2,3)7/h5H,4,6-7H2,1-3H3/q+1
InChIKeyLIBWJONQPAZRHH-UHFFFAOYSA-N
XLogP-0.37
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 5-0.37
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': '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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Related Compounds

1-[Amino(methyl)amino]propan-1-amine
CID 19736118
(1-Aminopropylamino)-trimethylazanium chloride
CID 19898484
(1-Aminopropylamino)-trimethylazanium
CID 19898485
1-hydrazinyl-N,N-dimethylpropan-1-amine
CID 21465433
Amino-(1-aminohexyl)-dimethylazanium
CID 87460032
1-[Amino(methyl)amino]pentan-1-amine
CID 87708905
1-[Amino(propyl)amino]propane-1,1-diamine
CID 87824780
1-[Amino(propyl)amino]ethanamine
CID 88419921
[Amino(propyl)amino]methanamine
CID 88437406
1-[Amino(methyl)amino]-2-methylbutan-1-amine
CID 89786339
1-[amino(methyl)amino]-N-methylpropan-1-amine
CID 90437118
1-[ethylamino(methyl)amino]-N,N-dimethylmethanamine
CID 90747365

Frequently Asked Questions

What is the IUPAC name of amino-(1-aminopropyl)-dimethylazanium?
The IUPAC name of amino-(1-aminopropyl)-dimethylazanium (CID 163786102) is amino-(1-aminopropyl)-dimethylazanium.
What is the SMILES notation for amino-(1-aminopropyl)-dimethylazanium?
The canonical SMILES for amino-(1-aminopropyl)-dimethylazanium is CCC(N)[N+](C)(C)N.
What is the InChIKey of amino-(1-aminopropyl)-dimethylazanium?
The InChIKey is LIBWJONQPAZRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16N3/c1-4-5(6)8(2,3)7/h5H,4,6-7H2,1-3H3/q+1.
What are the key properties of amino-(1-aminopropyl)-dimethylazanium?
amino-(1-aminopropyl)-dimethylazanium has a molecular weight of 118.20 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(1-aminopropyl)-dimethylazanium is sourced from PubChem (CID 163786102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).