amino-(1-aminohexyl)-dimethylazanium

C8H22N3+ — CID 87460032

IUPACamino-(1-aminohexyl)-dimethylazanium
SMILESCCCCCC(N)[N+](C)(C)N
InChIInChI=1S/C8H22N3/c1-4-5-6-7-8(9)11(2,3)10/h8H,4-7,9-10H2,1-3H3/q+1
InChIKeyHENHGZAKPDVNEG-UHFFFAOYSA-N
MW160.28 g/mol
LogP0.80
Rot. Bonds5

About amino-(1-aminohexyl)-dimethylazanium

amino-(1-aminohexyl)-dimethylazanium (PubChem CID 87460032) has the molecular formula C8H22N3+ and a molecular weight of 160.28 g/mol. Its IUPAC name is amino-(1-aminohexyl)-dimethylazanium.

Molecular Properties

Compound Nameamino-(1-aminohexyl)-dimethylazanium
PubChem CID87460032
Molecular FormulaC8H22N3+
Molecular Weight160.28 g/mol
Exact Mass160.18
IUPAC Nameamino-(1-aminohexyl)-dimethylazanium
SMILESCCCCCC(N)[N+](C)(C)N
InChIInChI=1S/C8H22N3/c1-4-5-6-7-8(9)11(2,3)10/h8H,4-7,9-10H2,1-3H3/q+1
InChIKeyHENHGZAKPDVNEG-UHFFFAOYSA-N
XLogP0.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

What is the IUPAC name of amino-(1-aminohexyl)-dimethylazanium?
The IUPAC name of amino-(1-aminohexyl)-dimethylazanium (CID 87460032) is amino-(1-aminohexyl)-dimethylazanium.
What is the SMILES notation for amino-(1-aminohexyl)-dimethylazanium?
The canonical SMILES for amino-(1-aminohexyl)-dimethylazanium is CCCCCC(N)[N+](C)(C)N.
What is the InChIKey of amino-(1-aminohexyl)-dimethylazanium?
The InChIKey is HENHGZAKPDVNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N3/c1-4-5-6-7-8(9)11(2,3)10/h8H,4-7,9-10H2,1-3H3/q+1.
What are the key properties of amino-(1-aminohexyl)-dimethylazanium?
amino-(1-aminohexyl)-dimethylazanium has a molecular weight of 160.28 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(1-aminohexyl)-dimethylazanium is sourced from PubChem (CID 87460032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).