1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide

C17H37IN4O — CID 111237234

IUPAC1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(CC(C)C)N1CCCC1)NC(C)COC.I
InChIInChI=1S/C17H36N4O.HI/c1-6-18-17(20-15(4)13-22-5)19-12-16(11-14(2)3)21-9-7-8-10-21;/h14-16H,6-13H2,1-5H3,(H2,18,19,20);1H
InChIKeyJZSCGPGSAOUYCD-UHFFFAOYSA-N
MW440.41 g/mol
LogP2.70
Rot. Bonds9

About 1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide

1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide (PubChem CID 111237234) has the molecular formula C17H37IN4O and a molecular weight of 440.41 g/mol. Its IUPAC name is 1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
PubChem CID111237234
Molecular FormulaC17H37IN4O
Molecular Weight440.41 g/mol
Exact Mass440.20
IUPAC Name1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(CC(C)C)N1CCCC1)NC(C)COC.I
InChIInChI=1S/C17H36N4O.HI/c1-6-18-17(20-15(4)13-22-5)19-12-16(11-14(2)3)21-9-7-8-10-21;/h14-16H,6-13H2,1-5H3,(H2,18,19,20);1H
InChIKeyJZSCGPGSAOUYCD-UHFFFAOYSA-N
XLogP2.70
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 52.70
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'}

Analyze 1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide 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-cyclopropyl-3-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
CID 110989396
1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111234307
1-ethyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-prop-2-enylguanidine
CID 110982979
1-ethyl-3-(3-methylbutan-2-yl)-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111002772
1-ethyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111935458
1-ethyl-3-(1-methoxypropan-2-yl)-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
CID 111782949
1-ethyl-3-(1-methoxypropan-2-yl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 111237031
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111235406
ethyl N-[1-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-4-methylpentan-2-yl]carbamate
CID 111237963
1-amino-3-(1-methoxypropan-2-yl)-2-(2-piperidin-1-ylpropyl)guanidine
CID 104885271
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234742
1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(2-methylpropoxy)ethyl]guanidine
CID 111235595

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide (CID 111237234) is 1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide is CCN/C(=N\CC(CC(C)C)N1CCCC1)NC(C)COC.I.
What is the InChIKey of 1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide?
The InChIKey is JZSCGPGSAOUYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O.HI/c1-6-18-17(20-15(4)13-22-5)19-12-16(11-14(2)3)21-9-7-8-10-21;/h14-16H,6-13H2,1-5H3,(H2,18,19,20);1H.
What are the key properties of 1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide?
1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide has a molecular weight of 440.41 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide is sourced from PubChem (CID 111237234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).