2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium

C19H42NO+ — CID 174884857

IUPAC2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium
SMILESCCCCC(OCC[N+](CCC)(CCC)CCC)C(C)C
InChIInChI=1S/C19H42NO/c1-7-11-12-19(18(5)6)21-17-16-20(13-8-2,14-9-3)15-10-4/h18-19H,7-17H2,1-6H3/q+1
InChIKeySTIFSNLSAACVNZ-UHFFFAOYSA-N
MW300.55 g/mol
LogP5.26
Rot. Bonds14

About 2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium

2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium (PubChem CID 174884857) has the molecular formula C19H42NO+ and a molecular weight of 300.55 g/mol. Its IUPAC name is 2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium.

Molecular Properties

Compound Name2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium
PubChem CID174884857
Molecular FormulaC19H42NO+
Molecular Weight300.55 g/mol
Exact Mass300.33
IUPAC Name2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium
SMILESCCCCC(OCC[N+](CCC)(CCC)CCC)C(C)C
InChIInChI=1S/C19H42NO/c1-7-11-12-19(18(5)6)21-17-16-20(13-8-2,14-9-3)15-10-4/h18-19H,7-17H2,1-6H3/q+1
InChIKeySTIFSNLSAACVNZ-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.55
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-ethoxy-2-methylheptane
CID 3086090
2-(2-methylnonan-3-yloxy)ethanamine
CID 150049308
3-ethoxy-2-methyldodecane
CID 78302637
ethyl-tris[2-(10-hydroxydocosan-9-yloxy)ethyl]azanium chloride
CID 159783957
2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol
CID 139910427
bis[2-(10-hydroxytetracosan-9-yloxy)ethyl]-dimethylazanium
CID 157460176
2-methyl-3-(2-methyloctadecan-3-yloxy)octadecane
CID 19369989
1-(3-methyloctan-4-yloxy)propan-2-ol
CID 142712331
2-hexadecoxy-1-sulfanylnonadecan-1-ol
CID 21264645
2-dodecoxy-1-sulfanyltridecan-1-ol
CID 21264637
3-(3-decoxyhexadecan-2-yloxy)propyl-trimethylazanium chloride
CID 22463719
N-tert-butyl-3-methyl-2-octoxybutan-1-amine
CID 55195436

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium?
The IUPAC name of 2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium (CID 174884857) is 2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium.
What is the SMILES notation for 2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium?
The canonical SMILES for 2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium is CCCCC(OCC[N+](CCC)(CCC)CCC)C(C)C.
What is the InChIKey of 2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium?
The InChIKey is STIFSNLSAACVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42NO/c1-7-11-12-19(18(5)6)21-17-16-20(13-8-2,14-9-3)15-10-4/h18-19H,7-17H2,1-6H3/q+1.
What are the key properties of 2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium?
2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium has a molecular weight of 300.55 g/mol, XLogP of 5.26, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium is sourced from PubChem (CID 174884857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).