2,4,4,6,6-pentamethylheptan-2-ylazanium

C12H28N+ — CID 23591642

IUPAC2,4,4,6,6-pentamethylheptan-2-ylazanium
SMILESCC(C)(C)CC(C)(C)CC(C)(C)[NH3+]
InChIInChI=1S/C12H27N/c1-10(2,3)8-11(4,5)9-12(6,7)13/h8-9,13H2,1-7H3/p+1
InChIKeyFREUGFSLPBDYHQ-UHFFFAOYSA-O
MW186.36 g/mol
LogP2.86
Rot. Bonds3

About 2,4,4,6,6-pentamethylheptan-2-ylazanium

2,4,4,6,6-pentamethylheptan-2-ylazanium (PubChem CID 23591642) has the molecular formula C12H28N+ and a molecular weight of 186.36 g/mol. Its IUPAC name is 2,4,4,6,6-pentamethylheptan-2-ylazanium.

Molecular Properties

Compound Name2,4,4,6,6-pentamethylheptan-2-ylazanium
PubChem CID23591642
Molecular FormulaC12H28N+
Molecular Weight186.36 g/mol
Exact Mass186.22
IUPAC Name2,4,4,6,6-pentamethylheptan-2-ylazanium
SMILESCC(C)(C)CC(C)(C)CC(C)(C)[NH3+]
InChIInChI=1S/C12H27N/c1-10(2,3)8-11(4,5)9-12(6,7)13/h8-9,13H2,1-7H3/p+1
InChIKeyFREUGFSLPBDYHQ-UHFFFAOYSA-O
XLogP2.86
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,4,4-trimethylpentan-2-ylazanium
CID 5178672
2,2,4,4,6,6-hexamethylheptane
CID 2795065
2,2,4,4,6,6-hexamethylheptane;molecular hydrogen
CID 167544338
2,2,4,4,6,6,7,7,9,9,11,11-dodecamethyldodecane
CID 158947018
2,4,4,6,6-pentamethylheptan-2-ylchloranium
CID 140547290
ethane;2,2,4,4-tetramethylheptane
CID 143291913
2,3,4,4,6,6,8,8-octamethylnon-2-ene
CID 58468529
dimethyl(2,2,4,4-tetramethylpentyl)phosphane
CID 134477410
4,4,6,6-tetramethyl-1,2-dinitro-2-(nitromethyl)heptane
CID 54222441
2,4,4,6,6,8,8,10,10-nonamethylundec-1-ene
CID 163753121
2,3,4,4,6,6,8,8-octamethylnon-2-ene;vanadium
CID 159855533
2,4,4,6,6,8,8-heptamethylnon-1-ene
CID 545785

Frequently Asked Questions

What is the IUPAC name of 2,4,4,6,6-pentamethylheptan-2-ylazanium?
The IUPAC name of 2,4,4,6,6-pentamethylheptan-2-ylazanium (CID 23591642) is 2,4,4,6,6-pentamethylheptan-2-ylazanium.
What is the SMILES notation for 2,4,4,6,6-pentamethylheptan-2-ylazanium?
The canonical SMILES for 2,4,4,6,6-pentamethylheptan-2-ylazanium is CC(C)(C)CC(C)(C)CC(C)(C)[NH3+].
What is the InChIKey of 2,4,4,6,6-pentamethylheptan-2-ylazanium?
The InChIKey is FREUGFSLPBDYHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H27N/c1-10(2,3)8-11(4,5)9-12(6,7)13/h8-9,13H2,1-7H3/p+1.
What are the key properties of 2,4,4,6,6-pentamethylheptan-2-ylazanium?
2,4,4,6,6-pentamethylheptan-2-ylazanium has a molecular weight of 186.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6,6-pentamethylheptan-2-ylazanium is sourced from PubChem (CID 23591642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).