methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine

C16H22IN2- — CID 159322065

IUPACmethyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine
SMILESCC[I-]C.Nc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C13H14N2.C3H8I/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-3-4-2/h1,3,5,7H,2,4,6,8H2,(H2,14,15);3H2,1-2H3/q;-1
InChIKeyHRPGONWOXRONOC-UHFFFAOYSA-N
MW369.27 g/mol
LogP0.42
Rot. Bonds1

About methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine

methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 159322065) has the molecular formula C16H22IN2- and a molecular weight of 369.27 g/mol. Its IUPAC name is methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Namemethyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine
PubChem CID159322065
Molecular FormulaC16H22IN2-
Molecular Weight369.27 g/mol
Exact Mass369.08
IUPAC Namemethyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine
SMILESCC[I-]C.Nc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C13H14N2.C3H8I/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-3-4-2/h1,3,5,7H,2,4,6,8H2,(H2,14,15);3H2,1-2H3/q;-1
InChIKeyHRPGONWOXRONOC-UHFFFAOYSA-N
XLogP0.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyliodanuidylethane;1,2,3,4-tetrahydroacridin-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

1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
CID 89284205
boric acid;1,2,3,4-tetrahydroacridin-9-amine
CID 70251064
acridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane
CID 142881752
1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345703
2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine
CID 51072137
6-phenyl-1,2,3,4-tetrahydroacridin-9-amine
CID 19804321
2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;2-hydroxybenzoic acid
CID 6611504
5-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 611416
1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine
CID 158872103
6-methyl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
CID 164616381
9-iodo-1,2,3,4-tetrahydroacridine
CID 628104
acridin-9-amine;λ2-plumbane
CID 173496858

Frequently Asked Questions

What is the IUPAC name of methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine (CID 159322065) is methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine is CC[I-]C.Nc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is HRPGONWOXRONOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C3H8I/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-3-4-2/h1,3,5,7H,2,4,6,8H2,(H2,14,15);3H2,1-2H3/q;-1.
What are the key properties of methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine?
methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 369.27 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 159322065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).