17-aminoheptadecyl(trimethyl)azanium

C20H45N2+ — CID 155769924

IUPAC17-aminoheptadecyl(trimethyl)azanium
SMILESC[N+](C)(C)CCCCCCCCCCCCCCCCCN
InChIInChI=1S/C20H45N2/c1-22(2,3)20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21/h4-21H2,1-3H3/q+1
InChIKeyUWYYBPMARIUKBX-UHFFFAOYSA-N
MW313.59 g/mol
LogP5.50
Rot. Bonds17

About 17-aminoheptadecyl(trimethyl)azanium

17-aminoheptadecyl(trimethyl)azanium (PubChem CID 155769924) has the molecular formula C20H45N2+ and a molecular weight of 313.59 g/mol. Its IUPAC name is 17-aminoheptadecyl(trimethyl)azanium.

Molecular Properties

Compound Name17-aminoheptadecyl(trimethyl)azanium
PubChem CID155769924
Molecular FormulaC20H45N2+
Molecular Weight313.59 g/mol
Exact Mass313.36
IUPAC Name17-aminoheptadecyl(trimethyl)azanium
SMILESC[N+](C)(C)CCCCCCCCCCCCCCCCCN
InChIInChI=1S/C20H45N2/c1-22(2,3)20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21/h4-21H2,1-3H3/q+1
InChIKeyUWYYBPMARIUKBX-UHFFFAOYSA-N
XLogP5.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.59
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

19-aminononadecyl(trimethyl)azanium
CID 155769982
14-aminotetradecyl(trimethyl)azanium
CID 155769967
15-aminopentadecyl(trimethyl)azanium
CID 155769921
12-aminododecyl(trimethyl)azanium;azane;hydrate
CID 174892223
3-aminopropyl(trimethyl)azanium;hydrochloride
CID 173485800
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353
tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
CID 173060606
trimethyl-[22-(trimethylazaniumyl)docosyl]azanium dichloride
CID 71335073
trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
CID 10921
aminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium
CID 173080790
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148

Frequently Asked Questions

What is the IUPAC name of 17-aminoheptadecyl(trimethyl)azanium?
The IUPAC name of 17-aminoheptadecyl(trimethyl)azanium (CID 155769924) is 17-aminoheptadecyl(trimethyl)azanium.
What is the SMILES notation for 17-aminoheptadecyl(trimethyl)azanium?
The canonical SMILES for 17-aminoheptadecyl(trimethyl)azanium is C[N+](C)(C)CCCCCCCCCCCCCCCCCN.
What is the InChIKey of 17-aminoheptadecyl(trimethyl)azanium?
The InChIKey is UWYYBPMARIUKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45N2/c1-22(2,3)20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21/h4-21H2,1-3H3/q+1.
What are the key properties of 17-aminoheptadecyl(trimethyl)azanium?
17-aminoheptadecyl(trimethyl)azanium has a molecular weight of 313.59 g/mol, XLogP of 5.50, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-aminoheptadecyl(trimethyl)azanium is sourced from PubChem (CID 155769924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).