(2-ethyl-3-methylpentyl)-trimethylazanium

C11H26N+ — CID 88887773

IUPAC(2-ethyl-3-methylpentyl)-trimethylazanium
SMILESCCC(C)C(CC)C[N+](C)(C)C
InChIInChI=1S/C11H26N/c1-7-10(3)11(8-2)9-12(4,5)6/h10-11H,7-9H2,1-6H3/q+1
InChIKeyUMDRQBVKSBNRAF-UHFFFAOYSA-N
MW172.34 g/mol
LogP2.76
Rot. Bonds5

About (2-ethyl-3-methylpentyl)-trimethylazanium

(2-ethyl-3-methylpentyl)-trimethylazanium (PubChem CID 88887773) has the molecular formula C11H26N+ and a molecular weight of 172.34 g/mol. Its IUPAC name is (2-ethyl-3-methylpentyl)-trimethylazanium.

Molecular Properties

Compound Name(2-ethyl-3-methylpentyl)-trimethylazanium
PubChem CID88887773
Molecular FormulaC11H26N+
Molecular Weight172.34 g/mol
Exact Mass172.21
IUPAC Name(2-ethyl-3-methylpentyl)-trimethylazanium
SMILESCCC(C)C(CC)C[N+](C)(C)C
InChIInChI=1S/C11H26N/c1-7-10(3)11(8-2)9-12(4,5)6/h10-11H,7-9H2,1-6H3/q+1
InChIKeyUMDRQBVKSBNRAF-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 52.76
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

(4R)-3-ethyl-4-methylhexane
CID 59954491
trimethyl(2-propan-2-ylpentyl)azanium
CID 144731918
trimethyl(2-methylbutyl)azanium chloride
CID 159075449
methane;trimethyl(2-methylbutyl)azanium
CID 162147033
trimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium
CID 91488198
3-ethyl-4-methylhexan-1-amine
CID 123538643
(3S)-2-ethyl-N,3-dimethylpentan-1-amine
CID 163536067
2-ethylbutyl(trimethyl)azanium hydroxide
CID 135203842
(3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium
CID 88878402
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
3-ethyl-1,1,1-trifluoro-4-methylhexane
CID 147184105
2-[ethoxy(hydroxy)phosphoryl]oxybutyl-trimethylazanium
CID 150212741

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3-methylpentyl)-trimethylazanium?
The IUPAC name of (2-ethyl-3-methylpentyl)-trimethylazanium (CID 88887773) is (2-ethyl-3-methylpentyl)-trimethylazanium.
What is the SMILES notation for (2-ethyl-3-methylpentyl)-trimethylazanium?
The canonical SMILES for (2-ethyl-3-methylpentyl)-trimethylazanium is CCC(C)C(CC)C[N+](C)(C)C.
What is the InChIKey of (2-ethyl-3-methylpentyl)-trimethylazanium?
The InChIKey is UMDRQBVKSBNRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N/c1-7-10(3)11(8-2)9-12(4,5)6/h10-11H,7-9H2,1-6H3/q+1.
What are the key properties of (2-ethyl-3-methylpentyl)-trimethylazanium?
(2-ethyl-3-methylpentyl)-trimethylazanium has a molecular weight of 172.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3-methylpentyl)-trimethylazanium is sourced from PubChem (CID 88887773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).