(4-chloro-4-methylpentyl)-dimethylazanium

C8H19ClN+ — CID 6932757

IUPAC(4-chloro-4-methylpentyl)-dimethylazanium
SMILESC[NH+](C)CCCC(C)(C)Cl
InChIInChI=1S/C8H18ClN/c1-8(2,9)6-5-7-10(3)4/h5-7H2,1-4H3/p+1
InChIKeyRZJCFMJLGGKXSV-UHFFFAOYSA-O
MW164.70 g/mol
LogP0.93
Rot. Bonds4

About (4-chloro-4-methylpentyl)-dimethylazanium

(4-chloro-4-methylpentyl)-dimethylazanium (PubChem CID 6932757) has the molecular formula C8H19ClN+ and a molecular weight of 164.70 g/mol. Its IUPAC name is (4-chloro-4-methylpentyl)-dimethylazanium.

Molecular Properties

Compound Name(4-chloro-4-methylpentyl)-dimethylazanium
PubChem CID6932757
Molecular FormulaC8H19ClN+
Molecular Weight164.70 g/mol
Exact Mass164.12
IUPAC Name(4-chloro-4-methylpentyl)-dimethylazanium
SMILESC[NH+](C)CCCC(C)(C)Cl
InChIInChI=1S/C8H18ClN/c1-8(2,9)6-5-7-10(3)4/h5-7H2,1-4H3/p+1
InChIKeyRZJCFMJLGGKXSV-UHFFFAOYSA-O
XLogP0.93
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.70
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-2-methylpentan-1-amine
CID 65026826
1-(2-chloro-2-methylcyclopropyl)-N-methylmethanamine;ethane
CID 142106524
5-chloro-N-(3-methylbutyl)pentan-1-amine
CID 436968
4-chloro-N,N,4-trimethylpentan-1-amine
CID 2780460
(4-Chloro-4-methylpentyl)-trimethylazanium
CID 2780483
N-(3-chlorobutyl)-2-methylpentan-1-amine
CID 65024801
N-(3-chloro-2-methylpropyl)-2-methylpentan-1-amine
CID 65036690
4-chloro-2-methyl-N-pentylbutan-1-amine
CID 66089678
N-(4-chloro-2-methylbutyl)-2-methylpentan-1-amine
CID 66090632
4-chloro-2-ethyl-N-(2-methylpentyl)butan-1-amine
CID 80308658
N-(3-chloro-2-methylpropyl)-4-methylpentan-1-amine
CID 83168100
N-(3-chloropropyl)-4-methylpentan-1-amine
CID 83168227

Frequently Asked Questions

What is the IUPAC name of (4-chloro-4-methylpentyl)-dimethylazanium?
The IUPAC name of (4-chloro-4-methylpentyl)-dimethylazanium (CID 6932757) is (4-chloro-4-methylpentyl)-dimethylazanium.
What is the SMILES notation for (4-chloro-4-methylpentyl)-dimethylazanium?
The canonical SMILES for (4-chloro-4-methylpentyl)-dimethylazanium is C[NH+](C)CCCC(C)(C)Cl.
What is the InChIKey of (4-chloro-4-methylpentyl)-dimethylazanium?
The InChIKey is RZJCFMJLGGKXSV-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18ClN/c1-8(2,9)6-5-7-10(3)4/h5-7H2,1-4H3/p+1.
What are the key properties of (4-chloro-4-methylpentyl)-dimethylazanium?
(4-chloro-4-methylpentyl)-dimethylazanium has a molecular weight of 164.70 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-4-methylpentyl)-dimethylazanium is sourced from PubChem (CID 6932757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).