2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide

C12H19IN4 — CID 110917258

IUPAC2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
SMILESCC1Cc2ccccc2N1CCN=C(N)N.I
InChIInChI=1S/C12H18N4.HI/c1-9-8-10-4-2-3-5-11(10)16(9)7-6-15-12(13)14;/h2-5,9H,6-8H2,1H3,(H4,13,14,15);1H
InChIKeyWHSRBLGNGCJWLV-UHFFFAOYSA-N
MW346.22 g/mol
LogP1.33
Rot. Bonds3

About 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide

2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide (PubChem CID 110917258) has the molecular formula C12H19IN4 and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
PubChem CID110917258
Molecular FormulaC12H19IN4
Molecular Weight346.22 g/mol
Exact Mass346.07
IUPAC Name2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
SMILESCC1Cc2ccccc2N1CCN=C(N)N.I
InChIInChI=1S/C12H18N4.HI/c1-9-8-10-4-2-3-5-11(10)16(9)7-6-15-12(13)14;/h2-5,9H,6-8H2,1H3,(H4,13,14,15);1H
InChIKeyWHSRBLGNGCJWLV-UHFFFAOYSA-N
XLogP1.33
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]morpholine-4-carboximidamide
CID 111088775
2-butyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 111088770
1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine
CID 111088821
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111088779
N-ethyl-N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboximidamide
CID 110955650
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine
CID 111088815
N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111088817
[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187
1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111088791
3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
CID 62613248

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide (CID 110917258) is 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide is CC1Cc2ccccc2N1CCN=C(N)N.I.
What is the InChIKey of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide?
The InChIKey is WHSRBLGNGCJWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4.HI/c1-9-8-10-4-2-3-5-11(10)16(9)7-6-15-12(13)14;/h2-5,9H,6-8H2,1H3,(H4,13,14,15);1H.
What are the key properties of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide?
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide has a molecular weight of 346.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110917258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).