2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium

C14H30N+ — CID 177124332

IUPAC2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium
SMILESCC(C)CC[N+](C)(C)CCC1CCCC1
InChIInChI=1S/C14H30N/c1-13(2)9-11-15(3,4)12-10-14-7-5-6-8-14/h13-14H,5-12H2,1-4H3/q+1
InChIKeyGZEUJNOURCLTBX-UHFFFAOYSA-N
MW212.40 g/mol
LogP3.69
Rot. Bonds6

About 2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium

2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium (PubChem CID 177124332) has the molecular formula C14H30N+ and a molecular weight of 212.40 g/mol. Its IUPAC name is 2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium.

Molecular Properties

Compound Name2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium
PubChem CID177124332
Molecular FormulaC14H30N+
Molecular Weight212.40 g/mol
Exact Mass212.24
IUPAC Name2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium
SMILESCC(C)CC[N+](C)(C)CCC1CCCC1
InChIInChI=1S/C14H30N/c1-13(2)9-11-15(3,4)12-10-14-7-5-6-8-14/h13-14H,5-12H2,1-4H3/q+1
InChIKeyGZEUJNOURCLTBX-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tri(2-ethylhexyl)amine
CID 102705
N,N-Dimethylcyclohexanemethanamine
CID 123363
N-(Cyclohexylmethyl)-N-ethylethanamine
CID 11457913
2-Ethyl-N,N-dimethylhexylamine
CID 119633
Cyclopentyl-N,N,N-trimethylmethanaminium iodide
CID 13436400
trimethyl-[[(1R,3S)-3-methylcyclopentyl]methyl]azanium iodide
CID 118719168
2-Propyl-n-pentyl-dimethylamin
CID 273855
Diethyl-(2-methyl-hexyl)-amine
CID 21965431
1-Hexanamine, 2-ethyl-N-(2-ethylhexyl)-N-methyl-
CID 593524
N-Butyl-2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 21242632
1-Methyl-3-propylpyrrolidine
CID 18722953
4-Methyl-n-heptyl-dimethylamin
CID 21965913

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium?
The IUPAC name of 2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium (CID 177124332) is 2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium.
What is the SMILES notation for 2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium?
The canonical SMILES for 2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium is CC(C)CC[N+](C)(C)CCC1CCCC1.
What is the InChIKey of 2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium?
The InChIKey is GZEUJNOURCLTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N/c1-13(2)9-11-15(3,4)12-10-14-7-5-6-8-14/h13-14H,5-12H2,1-4H3/q+1.
What are the key properties of 2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium?
2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium has a molecular weight of 212.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium is sourced from PubChem (CID 177124332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).