5-aminopentyl(methanidyl)azanium

C6H16N2 — CID 20723391

IUPAC5-aminopentyl(methanidyl)azanium
SMILES[CH2-][NH2+]CCCCCN
InChIInChI=1S/C6H16N2/c1-8-6-4-2-3-5-7/h1-8H2
InChIKeyNCCQPXZSQMGRFX-UHFFFAOYSA-N
MW116.21 g/mol
LogP-0.53
Rot. Bonds5

About 5-aminopentyl(methanidyl)azanium

5-aminopentyl(methanidyl)azanium (PubChem CID 20723391) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is 5-aminopentyl(methanidyl)azanium.

Molecular Properties

Compound Name5-aminopentyl(methanidyl)azanium
PubChem CID20723391
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name5-aminopentyl(methanidyl)azanium
SMILES[CH2-][NH2+]CCCCCN
InChIInChI=1S/C6H16N2/c1-8-6-4-2-3-5-7/h1-8H2
InChIKeyNCCQPXZSQMGRFX-UHFFFAOYSA-N
XLogP-0.53
TPSA42.63 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexane-1,6-diamine;methanamine
CID 174275715
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
pentane-1,5-diamine;tantalum
CID 159829635
pentane-1,5-diamine;dihydrobromide
CID 87582695
octane-1,8-diamine;hydroiodide
CID 166637894
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
heptane-1,7-diamine;tetrahydrobromide
CID 174950337
hexane-1,6-diamine;platinum
CID 87698683
4-aminobutyl(oxido)azanium
CID 141252674
ethene;pentane-1,5-diamine
CID 155743145

Frequently Asked Questions

What is the IUPAC name of 5-aminopentyl(methanidyl)azanium?
The IUPAC name of 5-aminopentyl(methanidyl)azanium (CID 20723391) is 5-aminopentyl(methanidyl)azanium.
What is the SMILES notation for 5-aminopentyl(methanidyl)azanium?
The canonical SMILES for 5-aminopentyl(methanidyl)azanium is [CH2-][NH2+]CCCCCN.
What is the InChIKey of 5-aminopentyl(methanidyl)azanium?
The InChIKey is NCCQPXZSQMGRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-8-6-4-2-3-5-7/h1-8H2.
What are the key properties of 5-aminopentyl(methanidyl)azanium?
5-aminopentyl(methanidyl)azanium has a molecular weight of 116.21 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopentyl(methanidyl)azanium is sourced from PubChem (CID 20723391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).