ethyl-heptan-2-yl-dimethylazanium

C11H26N+ — CID 123202760

IUPACethyl-heptan-2-yl-dimethylazanium
SMILESCCCCCC(C)[N+](C)(C)CC
InChIInChI=1S/C11H26N/c1-6-8-9-10-11(3)12(4,5)7-2/h11H,6-10H2,1-5H3/q+1
InChIKeySHXLZHMEXJULFV-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.05
Rot. Bonds6

About ethyl-heptan-2-yl-dimethylazanium

ethyl-heptan-2-yl-dimethylazanium (PubChem CID 123202760) has the molecular formula C11H26N+ and a molecular weight of 172.34 g/mol. Its IUPAC name is ethyl-heptan-2-yl-dimethylazanium.

Molecular Properties

Compound Nameethyl-heptan-2-yl-dimethylazanium
PubChem CID123202760
Molecular FormulaC11H26N+
Molecular Weight172.34 g/mol
Exact Mass172.21
IUPAC Nameethyl-heptan-2-yl-dimethylazanium
SMILESCCCCCC(C)[N+](C)(C)CC
InChIInChI=1S/C11H26N/c1-6-8-9-10-11(3)12(4,5)7-2/h11H,6-10H2,1-5H3/q+1
InChIKeySHXLZHMEXJULFV-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

decyl-dimethyl-pentadecan-2-ylazanium
CID 88599864
decan-2-yl-dimethyl-pentadecylazanium
CID 87697488
heptadecan-2-yl-hexadecyl-dimethylazanium
CID 175181629
hexadecan-2-yl-hexadecyl-dimethylazanium chloride
CID 141338407
docosan-2-yl(trimethyl)azanium
CID 141375855
triethyl(hexadecan-2-yl)azanium
CID 87135879
icosan-2-yl(trimethyl)azanium chloride
CID 139396717
ethyl-dimethyl-octadecan-9-ylazanium
CID 21324513
methyl-tri(octan-2-yl)azanium chloride
CID 12783666
decan-2-yl(trimethyl)azanium chloride
CID 174768597
triethyl(octan-2-yl)azanium
CID 57165770
butyl-dimethyl-pentan-2-ylazanium
CID 123184718

Frequently Asked Questions

What is the IUPAC name of ethyl-heptan-2-yl-dimethylazanium?
The IUPAC name of ethyl-heptan-2-yl-dimethylazanium (CID 123202760) is ethyl-heptan-2-yl-dimethylazanium.
What is the SMILES notation for ethyl-heptan-2-yl-dimethylazanium?
The canonical SMILES for ethyl-heptan-2-yl-dimethylazanium is CCCCCC(C)[N+](C)(C)CC.
What is the InChIKey of ethyl-heptan-2-yl-dimethylazanium?
The InChIKey is SHXLZHMEXJULFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N/c1-6-8-9-10-11(3)12(4,5)7-2/h11H,6-10H2,1-5H3/q+1.
What are the key properties of ethyl-heptan-2-yl-dimethylazanium?
ethyl-heptan-2-yl-dimethylazanium has a molecular weight of 172.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-heptan-2-yl-dimethylazanium is sourced from PubChem (CID 123202760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).