4-(pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+)

C11H15N2Rb — CID 58945672

IUPAC4-(pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+)
SMILESNc1c[c-]c(CN2CCCC2)cc1.[Rb+]
InChIInChI=1S/C11H15N2.Rb/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13;/h3,5-6H,1-2,7-9,12H2;/q-1;+1
InChIKeyCSRUTEBLRCTXNT-UHFFFAOYSA-N
MW260.72 g/mol
LogP-1.33
Rot. Bonds2

About 4-(pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+)

4-(pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+) (PubChem CID 58945672) has the molecular formula C11H15N2Rb and a molecular weight of 260.72 g/mol. Its IUPAC name is 4-(pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+).

Molecular Properties

Compound Name4-(pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+)
PubChem CID58945672
Molecular FormulaC11H15N2Rb
Molecular Weight260.72 g/mol
Exact Mass260.04
IUPAC Name4-(pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+)
SMILESNc1c[c-]c(CN2CCCC2)cc1.[Rb+]
InChIInChI=1S/C11H15N2.Rb/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13;/h3,5-6H,1-2,7-9,12H2;/q-1;+1
InChIKeyCSRUTEBLRCTXNT-UHFFFAOYSA-N
XLogP-1.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-(pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+) 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

7-Aminotetrahydroindolizine
CID 129827951
2-Methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine
CID 67976422
(Z)-1-(4-ethenyl-1-methyl-2,3-dihydropyrrol-5-yl)prop-1-en-2-amine
CID 68396239
2,3,5,6,7,11-hexahydro-1H-indolizino[8,7-b]indole
CID 87803466
(1Z,3Z)-2-ethyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-1-amine
CID 88931597
(2Z,4E)-5-(pyrrolidin-1-ylmethyl)hepta-2,4,6-trien-2-amine
CID 118102414
(2E,4E,6Z)-N-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]octa-2,4,6-trien-2-amine
CID 130329380
4-Ethyl-3-(pyrrolidin-1-ylmethyl)cyclohexa-1,3-dien-1-amine
CID 135170250
3,3-Dimethyl-5-pyrrolidin-1-ylcyclohepta-1,4,6-trien-1-amine
CID 142170233
2-(3-methylidene-5,6-dihydro-1H-isoindol-2-yl)ethanamine
CID 142245949
(2E)-3-methylidene-2-prop-2-enylidenepyrrolidine
CID 142354700
ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyrrolidine;methanamine
CID 142390763

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+)?
The IUPAC name of 4-(pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+) (CID 58945672) is 4-(pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+).
What is the SMILES notation for 4-(pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+)?
The canonical SMILES for 4-(pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+) is Nc1c[c-]c(CN2CCCC2)cc1.[Rb+].
What is the InChIKey of 4-(pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+)?
The InChIKey is CSRUTEBLRCTXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2.Rb/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13;/h3,5-6H,1-2,7-9,12H2;/q-1;+1.
What are the key properties of 4-(pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+)?
4-(pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+) has a molecular weight of 260.72 g/mol, XLogP of -1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-1-ylmethyl)benzene-5-id-1-amine;rubidium(1+) is sourced from PubChem (CID 58945672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).