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

C19H32IN5 — CID 111088806

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
SMILESCCN1CCCC1C/N=C(\N)NCCN1c2ccccc2CC1C.I
InChIInChI=1S/C19H31N5.HI/c1-3-23-11-6-8-17(23)14-22-19(20)21-10-12-24-15(2)13-16-7-4-5-9-18(16)24;/h4-5,7,9,15,17H,3,6,8,10-14H2,1-2H3,(H3,20,21,22);1H
InChIKeyDMFNPFNMNYVUSE-UHFFFAOYSA-N
MW457.40 g/mol
LogP2.44
Rot. Bonds6

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

2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide (PubChem CID 111088806) has the molecular formula C19H32IN5 and a molecular weight of 457.40 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
PubChem CID111088806
Molecular FormulaC19H32IN5
Molecular Weight457.40 g/mol
Exact Mass457.17
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
SMILESCCN1CCCC1C/N=C(\N)NCCN1c2ccccc2CC1C.I
InChIInChI=1S/C19H31N5.HI/c1-3-23-11-6-8-17(23)14-22-19(20)21-10-12-24-15(2)13-16-7-4-5-9-18(16)24;/h4-5,7,9,15,17H,3,6,8,10-14H2,1-2H3,(H3,20,21,22);1H
InChIKeyDMFNPFNMNYVUSE-UHFFFAOYSA-N
XLogP2.44
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-butyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 111088770
1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111088779
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111085448
1-[2-(azepan-1-yl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111057037
1-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111810744
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024722
1-[3-(4-benzylpiperazin-1-yl)propyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111059152
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110912442
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(2-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111060114
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111812474
N-[2-[[N'-[(1-ethylpyrrolidin-2-yl)methyl]carbamimidoyl]amino]ethyl]-2-fluorobenzamide
CID 111075697
1-[2-(3-chlorophenyl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111031372

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide (CID 111088806) is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide is CCN1CCCC1C/N=C(\N)NCCN1c2ccccc2CC1C.I.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide?
The InChIKey is DMFNPFNMNYVUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5.HI/c1-3-23-11-6-8-17(23)14-22-19(20)21-10-12-24-15(2)13-16-7-4-5-9-18(16)24;/h4-5,7,9,15,17H,3,6,8,10-14H2,1-2H3,(H3,20,21,22);1H.
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide?
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide has a molecular weight of 457.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111088806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).