ethyl-(2-methylpentyl)-phenylazanium

C14H24N+ — CID 23123245

IUPACethyl-(2-methylpentyl)-phenylazanium
SMILESCCCC(C)C[NH+](CC)c1ccccc1
InChIInChI=1S/C14H23N/c1-4-9-13(3)12-15(5-2)14-10-7-6-8-11-14/h6-8,10-11,13H,4-5,9,12H2,1-3H3/p+1
InChIKeyIMMUMOZCYHLZNX-UHFFFAOYSA-O
MW206.35 g/mol
LogP2.66
Rot. Bonds6

About ethyl-(2-methylpentyl)-phenylazanium

ethyl-(2-methylpentyl)-phenylazanium (PubChem CID 23123245) has the molecular formula C14H24N+ and a molecular weight of 206.35 g/mol. Its IUPAC name is ethyl-(2-methylpentyl)-phenylazanium.

Molecular Properties

Compound Nameethyl-(2-methylpentyl)-phenylazanium
PubChem CID23123245
Molecular FormulaC14H24N+
Molecular Weight206.35 g/mol
Exact Mass206.19
IUPAC Nameethyl-(2-methylpentyl)-phenylazanium
SMILESCCCC(C)C[NH+](CC)c1ccccc1
InChIInChI=1S/C14H23N/c1-4-9-13(3)12-15(5-2)14-10-7-6-8-11-14/h6-8,10-11,13H,4-5,9,12H2,1-3H3/p+1
InChIKeyIMMUMOZCYHLZNX-UHFFFAOYSA-O
XLogP2.66
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

butyl-(5-ethyl-2-methyloctyl)-phenylazanium
CID 23123538
bis(diethyl(methyl)azanium);bis(diethyl(phenyl)azanium);methane
CID 167695265
4-methylheptan-2-ylbenzene
CID 21055597
pentan-2-ylbenzene
CID 17627
diethyl(phenyl)azanium;trifluoromethanesulfonate
CID 158269719
CID 19876403
CID 19876403
3-(2-methylpentyl)-3-phenylazetidine
CID 79451361
4-methyl-1,1-diphenylheptan-2-amine
CID 63412141
ethyl-fluoro-(2-methylpentyl)-phenylphosphanium
CID 87995992
4-methylheptane
CID 11512
4-methylheptane
CID 91413347
[(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene
CID 139248421

Frequently Asked Questions

What is the IUPAC name of ethyl-(2-methylpentyl)-phenylazanium?
The IUPAC name of ethyl-(2-methylpentyl)-phenylazanium (CID 23123245) is ethyl-(2-methylpentyl)-phenylazanium.
What is the SMILES notation for ethyl-(2-methylpentyl)-phenylazanium?
The canonical SMILES for ethyl-(2-methylpentyl)-phenylazanium is CCCC(C)C[NH+](CC)c1ccccc1.
What is the InChIKey of ethyl-(2-methylpentyl)-phenylazanium?
The InChIKey is IMMUMOZCYHLZNX-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23N/c1-4-9-13(3)12-15(5-2)14-10-7-6-8-11-14/h6-8,10-11,13H,4-5,9,12H2,1-3H3/p+1.
What are the key properties of ethyl-(2-methylpentyl)-phenylazanium?
ethyl-(2-methylpentyl)-phenylazanium has a molecular weight of 206.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-methylpentyl)-phenylazanium is sourced from PubChem (CID 23123245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).