3-(6-aminohexanoylamino)propyl-(2-methoxyethyl)-dimethylazanium

C14H32N3O2+ — CID 129170823

IUPAC3-(6-aminohexanoylamino)propyl-(2-methoxyethyl)-dimethylazanium
SMILESCOCC[N+](C)(C)CCCNC(=O)CCCCCN
InChIInChI=1S/C14H31N3O2/c1-17(2,12-13-19-3)11-7-10-16-14(18)8-5-4-6-9-15/h4-13,15H2,1-3H3/p+1
InChIKeyCORHRZRIEVGQSZ-UHFFFAOYSA-O
MW274.43 g/mol
LogP0.73
Rot. Bonds12

About 3-(6-aminohexanoylamino)propyl-(2-methoxyethyl)-dimethylazanium

3-(6-aminohexanoylamino)propyl-(2-methoxyethyl)-dimethylazanium (PubChem CID 129170823) has the molecular formula C14H32N3O2+ and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-(6-aminohexanoylamino)propyl-(2-methoxyethyl)-dimethylazanium.

Molecular Properties

Compound Name3-(6-aminohexanoylamino)propyl-(2-methoxyethyl)-dimethylazanium
PubChem CID129170823
Molecular FormulaC14H32N3O2+
Molecular Weight274.43 g/mol
Exact Mass274.25
IUPAC Name3-(6-aminohexanoylamino)propyl-(2-methoxyethyl)-dimethylazanium
SMILESCOCC[N+](C)(C)CCCNC(=O)CCCCCN
InChIInChI=1S/C14H31N3O2/c1-17(2,12-13-19-3)11-7-10-16-14(18)8-5-4-6-9-15/h4-13,15H2,1-3H3/p+1
InChIKeyCORHRZRIEVGQSZ-UHFFFAOYSA-O
XLogP0.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-aminohexanoylamino)propyl-(2-methoxyethyl)-dimethylazanium?
The IUPAC name of 3-(6-aminohexanoylamino)propyl-(2-methoxyethyl)-dimethylazanium (CID 129170823) is 3-(6-aminohexanoylamino)propyl-(2-methoxyethyl)-dimethylazanium.
What is the SMILES notation for 3-(6-aminohexanoylamino)propyl-(2-methoxyethyl)-dimethylazanium?
The canonical SMILES for 3-(6-aminohexanoylamino)propyl-(2-methoxyethyl)-dimethylazanium is COCC[N+](C)(C)CCCNC(=O)CCCCCN.
What is the InChIKey of 3-(6-aminohexanoylamino)propyl-(2-methoxyethyl)-dimethylazanium?
The InChIKey is CORHRZRIEVGQSZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H31N3O2/c1-17(2,12-13-19-3)11-7-10-16-14(18)8-5-4-6-9-15/h4-13,15H2,1-3H3/p+1.
What are the key properties of 3-(6-aminohexanoylamino)propyl-(2-methoxyethyl)-dimethylazanium?
3-(6-aminohexanoylamino)propyl-(2-methoxyethyl)-dimethylazanium has a molecular weight of 274.43 g/mol, XLogP of 0.73, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminohexanoylamino)propyl-(2-methoxyethyl)-dimethylazanium is sourced from PubChem (CID 129170823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).