3-bromopropyl-dimethyl-tetradecylazanium

C19H41BrN+ — CID 14625788

IUPAC3-bromopropyl-dimethyl-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)CCCBr
InChIInChI=1S/C19H41BrN/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21(2,3)19-16-17-20/h4-19H2,1-3H3/q+1
InChIKeyPTUHYNGCJQHXML-UHFFFAOYSA-N
MW363.45 g/mol
LogP6.55
Rot. Bonds16

About 3-bromopropyl-dimethyl-tetradecylazanium

3-bromopropyl-dimethyl-tetradecylazanium (PubChem CID 14625788) has the molecular formula C19H41BrN+ and a molecular weight of 363.45 g/mol. Its IUPAC name is 3-bromopropyl-dimethyl-tetradecylazanium.

Molecular Properties

Compound Name3-bromopropyl-dimethyl-tetradecylazanium
PubChem CID14625788
Molecular FormulaC19H41BrN+
Molecular Weight363.45 g/mol
Exact Mass362.24
IUPAC Name3-bromopropyl-dimethyl-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)CCCBr
InChIInChI=1S/C19H41BrN/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21(2,3)19-16-17-20/h4-19H2,1-3H3/q+1
InChIKeyPTUHYNGCJQHXML-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.45
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-bromopropyl-dimethyl-tridecylazanium iodide
CID 139952998
3-bromopropyl-dimethyl-tridecylazanium bromide
CID 139953631
3-bromopropyl-dodecyl-dimethylazanium iodide
CID 139953348
3-bromopropyl-dimethyl-tridecylazanium chloride
CID 139953004
12-bromododecyl-dodecyl-dimethylazanium
CID 168867166
6-bromohexyl-decyl-dimethylazanium
CID 54254766
4-bromobutyl-dodecyl-dimethylazanium
CID 139952700
4-bromobutyl-dimethyl-nonylazanium
CID 139952423
4-bromobutyl-dimethyl-octylazanium bromide
CID 139952710
2-bromoethyl-icosyl-dimethylazanium
CID 14625489
2-bromoethyl-dimethyl-tetradecylazanium chloride
CID 139792284
decyl-heptadecyl-dimethylazanium
CID 22158969

Frequently Asked Questions

What is the IUPAC name of 3-bromopropyl-dimethyl-tetradecylazanium?
The IUPAC name of 3-bromopropyl-dimethyl-tetradecylazanium (CID 14625788) is 3-bromopropyl-dimethyl-tetradecylazanium.
What is the SMILES notation for 3-bromopropyl-dimethyl-tetradecylazanium?
The canonical SMILES for 3-bromopropyl-dimethyl-tetradecylazanium is CCCCCCCCCCCCCC[N+](C)(C)CCCBr.
What is the InChIKey of 3-bromopropyl-dimethyl-tetradecylazanium?
The InChIKey is PTUHYNGCJQHXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41BrN/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21(2,3)19-16-17-20/h4-19H2,1-3H3/q+1.
What are the key properties of 3-bromopropyl-dimethyl-tetradecylazanium?
3-bromopropyl-dimethyl-tetradecylazanium has a molecular weight of 363.45 g/mol, XLogP of 6.55, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropyl-dimethyl-tetradecylazanium is sourced from PubChem (CID 14625788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).