ethyl-dimethyl-(3,3,4-trimethylheptan-2-yl)azanium

C14H32N+ — CID 123269086

IUPACethyl-dimethyl-(3,3,4-trimethylheptan-2-yl)azanium
SMILESCCCC(C)C(C)(C)C(C)[N+](C)(C)CC
InChIInChI=1S/C14H32N/c1-9-11-12(3)14(5,6)13(4)15(7,8)10-2/h12-13H,9-11H2,1-8H3/q+1
InChIKeyNXGSDYICIJZSJA-UHFFFAOYSA-N
MW214.42 g/mol
LogP3.93
Rot. Bonds6

About ethyl-dimethyl-(3,3,4-trimethylheptan-2-yl)azanium

ethyl-dimethyl-(3,3,4-trimethylheptan-2-yl)azanium (PubChem CID 123269086) has the molecular formula C14H32N+ and a molecular weight of 214.42 g/mol. Its IUPAC name is ethyl-dimethyl-(3,3,4-trimethylheptan-2-yl)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(3,3,4-trimethylheptan-2-yl)azanium
PubChem CID123269086
Molecular FormulaC14H32N+
Molecular Weight214.42 g/mol
Exact Mass214.25
IUPAC Nameethyl-dimethyl-(3,3,4-trimethylheptan-2-yl)azanium
SMILESCCCC(C)C(C)(C)C(C)[N+](C)(C)CC
InChIInChI=1S/C14H32N/c1-9-11-12(3)14(5,6)13(4)15(7,8)10-2/h12-13H,9-11H2,1-8H3/q+1
InChIKeyNXGSDYICIJZSJA-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trichloro(2,3-dimethylhexan-2-yl)silane
CID 170850505
3-(methoxymethyl)-4-methylheptan-3-ol
CID 107892647
2,3-dimethylhexan-2-ylphosphane;hydrobromide
CID 173157513
ethane;3,3,4-trimethylheptan-1-amine
CID 143679241
3,4-dimethylheptane-2,2,3-trithiol
CID 166664706
2,3,3,4,8-pentamethylundecane
CID 54476600
2,3-dimethylhexan-2-ylphosphanium tetrafluoroborate
CID 87195673
ethyl-dimethyl-octadecan-9-ylazanium
CID 21324513
ethyl-heptan-2-yl-dimethylazanium
CID 123202760
2-chloro-2,3-dimethylhexane;cyclohexane
CID 175373008
1-(dimethylamino)ethyl-ethyl-dimethylazanium
CID 126581656
N,N,2,2,3-pentamethylhexanamide
CID 20824927

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(3,3,4-trimethylheptan-2-yl)azanium?
The IUPAC name of ethyl-dimethyl-(3,3,4-trimethylheptan-2-yl)azanium (CID 123269086) is ethyl-dimethyl-(3,3,4-trimethylheptan-2-yl)azanium.
What is the SMILES notation for ethyl-dimethyl-(3,3,4-trimethylheptan-2-yl)azanium?
The canonical SMILES for ethyl-dimethyl-(3,3,4-trimethylheptan-2-yl)azanium is CCCC(C)C(C)(C)C(C)[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-(3,3,4-trimethylheptan-2-yl)azanium?
The InChIKey is NXGSDYICIJZSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N/c1-9-11-12(3)14(5,6)13(4)15(7,8)10-2/h12-13H,9-11H2,1-8H3/q+1.
What are the key properties of ethyl-dimethyl-(3,3,4-trimethylheptan-2-yl)azanium?
ethyl-dimethyl-(3,3,4-trimethylheptan-2-yl)azanium has a molecular weight of 214.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(3,3,4-trimethylheptan-2-yl)azanium is sourced from PubChem (CID 123269086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).