4-cyclopentyl-2-methylisoquinolin-2-ium;ethane

C17H24N+ — CID 155692739

IUPAC4-cyclopentyl-2-methylisoquinolin-2-ium;ethane
SMILESCC.C[n+]1cc(C2CCCC2)c2ccccc2c1
InChIInChI=1S/C15H18N.C2H6/c1-16-10-13-8-4-5-9-14(13)15(11-16)12-6-2-3-7-12;1-2/h4-5,8-12H,2-3,6-7H2,1H3;1-2H3/q+1;
InChIKeyFTNIDOZYABSRLV-UHFFFAOYSA-N
MW242.39 g/mol
LogP4.35
Rot. Bonds1

About 4-cyclopentyl-2-methylisoquinolin-2-ium;ethane

4-cyclopentyl-2-methylisoquinolin-2-ium;ethane (PubChem CID 155692739) has the molecular formula C17H24N+ and a molecular weight of 242.39 g/mol. Its IUPAC name is 4-cyclopentyl-2-methylisoquinolin-2-ium;ethane.

Molecular Properties

Compound Name4-cyclopentyl-2-methylisoquinolin-2-ium;ethane
PubChem CID155692739
Molecular FormulaC17H24N+
Molecular Weight242.39 g/mol
Exact Mass242.19
IUPAC Name4-cyclopentyl-2-methylisoquinolin-2-ium;ethane
SMILESCC.C[n+]1cc(C2CCCC2)c2ccccc2c1
InChIInChI=1S/C15H18N.C2H6/c1-16-10-13-8-4-5-9-14(13)15(11-16)12-6-2-3-7-12;1-2/h4-5,8-12H,2-3,6-7H2,1H3;1-2H3/q+1;
InChIKeyFTNIDOZYABSRLV-UHFFFAOYSA-N
XLogP4.35
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-cyclopropyl-2-methylisoquinolin-2-ium
CID 155692553
1-cyclopentyl-3-methylnaphthalene
CID 153311987
4-cyclohexylisoquinoline
CID 21394649
2-tert-butyl-4-piperidin-4-ylisoquinolin-2-ium
CID 155615280
2-cyclopentylnaphthalene-1-thiol
CID 67281948
5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium
CID 170405612
[1-(2-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 155147383
1-(2,6-dicyclohexylphenyl)anthracene
CID 141325859
9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59413180
1-cyclopentylpyrene
CID 101173318
(3S)-3-naphthalen-1-ylcycloheptan-1-one
CID 101392691
N-methyl-3-naphthalen-1-ylcyclohexan-1-amine
CID 59830952

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-methylisoquinolin-2-ium;ethane?
The IUPAC name of 4-cyclopentyl-2-methylisoquinolin-2-ium;ethane (CID 155692739) is 4-cyclopentyl-2-methylisoquinolin-2-ium;ethane.
What is the SMILES notation for 4-cyclopentyl-2-methylisoquinolin-2-ium;ethane?
The canonical SMILES for 4-cyclopentyl-2-methylisoquinolin-2-ium;ethane is CC.C[n+]1cc(C2CCCC2)c2ccccc2c1.
What is the InChIKey of 4-cyclopentyl-2-methylisoquinolin-2-ium;ethane?
The InChIKey is FTNIDOZYABSRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N.C2H6/c1-16-10-13-8-4-5-9-14(13)15(11-16)12-6-2-3-7-12;1-2/h4-5,8-12H,2-3,6-7H2,1H3;1-2H3/q+1;.
What are the key properties of 4-cyclopentyl-2-methylisoquinolin-2-ium;ethane?
4-cyclopentyl-2-methylisoquinolin-2-ium;ethane has a molecular weight of 242.39 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methylisoquinolin-2-ium;ethane is sourced from PubChem (CID 155692739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).