(4R)-7-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium

C14H22N2+2 — CID 9170494

IUPAC(4R)-7-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium
SMILESCc1ccc2c(c1)C[NH2+]C[C@@H]2[NH+]1CCCC1
InChIInChI=1S/C14H20N2/c1-11-4-5-13-12(8-11)9-15-10-14(13)16-6-2-3-7-16/h4-5,8,14-15H,2-3,6-7,9-10H2,1H3/p+2/t14-/m0/s1
InChIKeyRVAGOZHNJHTUDO-AWEZNQCLSA-P
MW218.34 g/mol
LogP-0.21
Rot. Bonds1

About (4R)-7-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium

(4R)-7-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium (PubChem CID 9170494) has the molecular formula C14H22N2+2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (4R)-7-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium.

Molecular Properties

Compound Name(4R)-7-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium
PubChem CID9170494
Molecular FormulaC14H22N2+2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(4R)-7-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium
SMILESCc1ccc2c(c1)C[NH2+]C[C@@H]2[NH+]1CCCC1
InChIInChI=1S/C14H20N2/c1-11-4-5-13-12(8-11)9-15-10-14(13)16-6-2-3-7-16/h4-5,8,14-15H,2-3,6-7,9-10H2,1H3/p+2/t14-/m0/s1
InChIKeyRVAGOZHNJHTUDO-AWEZNQCLSA-P
XLogP-0.21
TPSA21.05 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze (4R)-7-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium with MolForge

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Related Compounds

(4R)-4-(azepan-1-ium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 9168726
12,25-dimethyl-2,8-dioxa-16,21-diazoniatricyclo[21.4.0.09,14]heptacosa-1(23),9(14),10,12,24,26-hexaene dihexafluorophosphate
CID 51353839
3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 105427752
1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene
CID 84717004
2-chloro-1-cyclopropyl-4-methylbenzene;ethane
CID 144845511
1-cyclopropyl-2-fluoro-4-methylbenzene;ethane
CID 144800459
cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226
ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene
CID 142072053
6-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 59559014
ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene
CID 162687970
1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene
CID 118269320
(3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol
CID 105429222

Frequently Asked Questions

What is the IUPAC name of (4R)-7-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium?
The IUPAC name of (4R)-7-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium (CID 9170494) is (4R)-7-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium.
What is the SMILES notation for (4R)-7-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium?
The canonical SMILES for (4R)-7-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium is Cc1ccc2c(c1)C[NH2+]C[C@@H]2[NH+]1CCCC1.
What is the InChIKey of (4R)-7-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium?
The InChIKey is RVAGOZHNJHTUDO-AWEZNQCLSA-P. The full InChI is InChI=1S/C14H20N2/c1-11-4-5-13-12(8-11)9-15-10-14(13)16-6-2-3-7-16/h4-5,8,14-15H,2-3,6-7,9-10H2,1H3/p+2/t14-/m0/s1.
What are the key properties of (4R)-7-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium?
(4R)-7-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium has a molecular weight of 218.34 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-methyl-4-pyrrolidin-1-ium-1-yl-1,2,3,4-tetrahydroisoquinolin-2-ium is sourced from PubChem (CID 9170494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).