(4-chloro-4-methylpentyl)-trimethylazanium

C9H21ClN+ — CID 2780483

IUPAC(4-chloro-4-methylpentyl)-trimethylazanium
SMILESCC(C)(Cl)CCC[N+](C)(C)C
InChIInChI=1S/C9H21ClN/c1-9(2,10)7-6-8-11(3,4)5/h6-8H2,1-5H3/q+1
InChIKeyVDIHNGJPXWUWMH-UHFFFAOYSA-N
MW178.73 g/mol
LogP2.49
Rot. Bonds4

About (4-chloro-4-methylpentyl)-trimethylazanium

(4-chloro-4-methylpentyl)-trimethylazanium (PubChem CID 2780483) has the molecular formula C9H21ClN+ and a molecular weight of 178.73 g/mol. Its IUPAC name is (4-chloro-4-methylpentyl)-trimethylazanium.

Molecular Properties

Compound Name(4-chloro-4-methylpentyl)-trimethylazanium
PubChem CID2780483
Molecular FormulaC9H21ClN+
Molecular Weight178.73 g/mol
Exact Mass178.14
IUPAC Name(4-chloro-4-methylpentyl)-trimethylazanium
SMILESCC(C)(Cl)CCC[N+](C)(C)C
InChIInChI=1S/C9H21ClN/c1-9(2,10)7-6-8-11(3,4)5/h6-8H2,1-5H3/q+1
InChIKeyVDIHNGJPXWUWMH-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.73
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N,N,5-trimethylhexan-1-amine
CID 88740864
6-chloro-N,N-diethyl-5-methylhexan-1-amine
CID 88741718
2-chloro-N,N-diethyl-4-methylpentan-1-amine
CID 150778945
(2R)-4-chloro-N,N,2-trimethylpentan-1-amine
CID 163765576
5-chloro-4,5-diethyl-N,N-dimethylheptan-1-amine
CID 175107005
4-chloro-N,N,4-triethylhexan-1-amine
CID 175353632
N-(4-chloro-4-methylpentyl)-N,N-dimethylamine hydrochloride
CID 2780459
4-chloro-N,N,4-trimethylpentan-1-amine
CID 2780460
(4-Chloro-4-methylpentyl)-trimethylazanium iodide
CID 2780482
(4-Chloro-4-methylpentyl)-dimethylazanium
CID 6932757
5-chloro-N-methyl-N-(2-methylbutyl)pentan-1-amine
CID 61288956
5-chloro-N-methyl-N-(3-methylbutyl)pentan-1-amine
CID 61428795

Frequently Asked Questions

What is the IUPAC name of (4-chloro-4-methylpentyl)-trimethylazanium?
The IUPAC name of (4-chloro-4-methylpentyl)-trimethylazanium (CID 2780483) is (4-chloro-4-methylpentyl)-trimethylazanium.
What is the SMILES notation for (4-chloro-4-methylpentyl)-trimethylazanium?
The canonical SMILES for (4-chloro-4-methylpentyl)-trimethylazanium is CC(C)(Cl)CCC[N+](C)(C)C.
What is the InChIKey of (4-chloro-4-methylpentyl)-trimethylazanium?
The InChIKey is VDIHNGJPXWUWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClN/c1-9(2,10)7-6-8-11(3,4)5/h6-8H2,1-5H3/q+1.
What are the key properties of (4-chloro-4-methylpentyl)-trimethylazanium?
(4-chloro-4-methylpentyl)-trimethylazanium has a molecular weight of 178.73 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-4-methylpentyl)-trimethylazanium is sourced from PubChem (CID 2780483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).