N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide

C18H37IN4O — CID 111735216

IUPACN-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCN1CCCCC1C)N1CCC(COC)C1.I
InChIInChI=1S/C18H36N4O.HI/c1-4-19-18(22-13-9-17(14-22)15-23-3)20-10-7-12-21-11-6-5-8-16(21)2;/h16-17H,4-15H2,1-3H3,(H,19,20);1H
InChIKeyMFPTZGPDHNLPEA-UHFFFAOYSA-N
MW452.43 g/mol
LogP2.80
Rot. Bonds7

About N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide

N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111735216) has the molecular formula C18H37IN4O and a molecular weight of 452.43 g/mol. Its IUPAC name is N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111735216
Molecular FormulaC18H37IN4O
Molecular Weight452.43 g/mol
Exact Mass452.20
IUPAC NameN-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCN1CCCCC1C)N1CCC(COC)C1.I
InChIInChI=1S/C18H36N4O.HI/c1-4-19-18(22-13-9-17(14-22)15-23-3)20-10-7-12-21-11-6-5-8-16(21)2;/h16-17H,4-15H2,1-3H3,(H,19,20);1H
InChIKeyMFPTZGPDHNLPEA-UHFFFAOYSA-N
XLogP2.80
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;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

3-(methoxymethyl)-N'-methyl-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111735096
N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111145411
4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 110963596
N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111145412
N-ethyl-N'-(2-methoxyethyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111736890
4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide
CID 110963597
tert-butyl N-[1-[N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111728997
N-ethyl-3-(methoxymethyl)-N'-[(2-methylcyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119143385
N-ethyl-3-(methoxymethyl)-N'-(3-phenoxypropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735262
N-ethyl-3-(methoxymethyl)-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111736450
N-ethyl-3-(methoxymethyl)-N'-prop-2-ynylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143443
1-ethyl-3-(2-methoxyethyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110941905

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 111735216) is N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCN1CCCCC1C)N1CCC(COC)C1.I.
What is the InChIKey of N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is MFPTZGPDHNLPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O.HI/c1-4-19-18(22-13-9-17(14-22)15-23-3)20-10-7-12-21-11-6-5-8-16(21)2;/h16-17H,4-15H2,1-3H3,(H,19,20);1H.
What are the key properties of N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide?
N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 452.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111735216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).