dipropylazanium

C6H16N+ — CID 3451520

IUPACdipropylazanium
SMILESCCC[NH2+]CCC
InChIInChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3/p+1
InChIKeyWEHWNAOGRSTTBQ-UHFFFAOYSA-O
MW102.20 g/mol
LogP0.37
Rot. Bonds4

About dipropylazanium

dipropylazanium (PubChem CID 3451520) has the molecular formula C6H16N+ and a molecular weight of 102.20 g/mol. Its IUPAC name is dipropylazanium.

Molecular Properties

Compound Namedipropylazanium
PubChem CID3451520
Molecular FormulaC6H16N+
Molecular Weight102.20 g/mol
Exact Mass102.13
IUPAC Namedipropylazanium
SMILESCCC[NH2+]CCC
InChIInChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3/p+1
InChIKeyWEHWNAOGRSTTBQ-UHFFFAOYSA-O
XLogP0.37
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipropylazanium?
The IUPAC name of dipropylazanium (CID 3451520) is dipropylazanium.
What is the SMILES notation for dipropylazanium?
The canonical SMILES for dipropylazanium is CCC[NH2+]CCC.
What is the InChIKey of dipropylazanium?
The InChIKey is WEHWNAOGRSTTBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3/p+1.
What are the key properties of dipropylazanium?
dipropylazanium has a molecular weight of 102.20 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylazanium is sourced from PubChem (CID 3451520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).