N,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine

C25H21N3+2 — CID 21042169

IUPACN,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine
SMILESCN(C)c1ccc2c(c1)-c1cccc[n+]1C21c2ccccc2-c2cccc[n+]21
InChIInChI=1S/C25H21N3/c1-26(2)18-13-14-22-20(17-18)24-12-6-8-16-28(24)25(22)21-10-4-3-9-19(21)23-11-5-7-15-27(23)25/h3-17H,1-2H3/q+2
InChIKeyGYWKQZSRUUBORI-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.59
Rot. Bonds1

About N,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine

N,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine (PubChem CID 21042169) has the molecular formula C25H21N3+2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine.

Molecular Properties

Compound NameN,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine
PubChem CID21042169
Molecular FormulaC25H21N3+2
Molecular Weight363.46 g/mol
Exact Mass363.17
IUPAC NameN,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine
SMILESCN(C)c1ccc2c(c1)-c1cccc[n+]1C21c2ccccc2-c2cccc[n+]21
InChIInChI=1S/C25H21N3/c1-26(2)18-13-14-22-20(17-18)24-12-6-8-16-28(24)25(22)21-10-4-3-9-19(21)23-11-5-7-15-27(23)25/h3-17H,1-2H3/q+2
InChIKeyGYWKQZSRUUBORI-UHFFFAOYSA-N
XLogP3.59
TPSA11.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine 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

spiro[7,20-diazoniapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,6'-pyrido[2,1-a]isoindol-5-ium]
CID 142955188
2-ethenyl-2'-prop-1-enyl-3,3'-spirobi[1H-indolizin-4-ium-1-ide];9-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium];bis(yttrium)
CID 158475409
6-methylidenespiro[chromeno[3,4-a]indolizin-11-ium-12,6'-pyrido[2,1-a]isoindol-5-ium]
CID 160614588
20-propan-2-ylspiro[12,15-dioxa-23-azoniaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18(23),19,21,26-dodecaene-24,6'-pyrido[2,1-a]isoindol-5-ium]
CID 168799249
6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium
CID 123837266
spiro[3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),11,15,17,19,21,23-nonaene-14,6'-pyrido[2,1-a]isoindol-5-ium]
CID 158736506
5,7,13,15,18,18-hexamethylspiro[10-azoniahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene-9,6'-pyrido[2,1-a]isoindol-5-ium]
CID 167354490
bis(3',6'-bis(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one);ethane
CID 158025143
CID 58793302
CID 58793302
spiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane
CID 159540002
9,9-dimethyl-26-propan-2-ylspiro[17-azoniaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene-18,6'-pyrido[2,1-a]isoindol-5-ium]
CID 167354930
7,7-diethyl-N,N-bis(4-methylphenyl)-6H-benzo[a]quinolizin-5-ium-10-amine
CID 123906206

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine?
The IUPAC name of N,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine (CID 21042169) is N,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine.
What is the SMILES notation for N,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine?
The canonical SMILES for N,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine is CN(C)c1ccc2c(c1)-c1cccc[n+]1C21c2ccccc2-c2cccc[n+]21.
What is the InChIKey of N,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine?
The InChIKey is GYWKQZSRUUBORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3/c1-26(2)18-13-14-22-20(17-18)24-12-6-8-16-28(24)25(22)21-10-4-3-9-19(21)23-11-5-7-15-27(23)25/h3-17H,1-2H3/q+2.
What are the key properties of N,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine?
N,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine has a molecular weight of 363.46 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine is sourced from PubChem (CID 21042169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).