1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide

C13H29IN4O — CID 111181186

IUPAC1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)C)NCC1CN(C)CCO1.I
InChIInChI=1S/C13H28N4O.HI/c1-5-14-13(15-8-11(2)3)16-9-12-10-17(4)6-7-18-12;/h11-12H,5-10H2,1-4H3,(H2,14,15,16);1H
InChIKeyKYPSGGPNIICWCH-UHFFFAOYSA-N
MW384.31 g/mol
LogP1.15
Rot. Bonds5

About 1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide

1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 111181186) has the molecular formula C13H29IN4O and a molecular weight of 384.31 g/mol. Its IUPAC name is 1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
PubChem CID111181186
Molecular FormulaC13H29IN4O
Molecular Weight384.31 g/mol
Exact Mass384.14
IUPAC Name1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)C)NCC1CN(C)CCO1.I
InChIInChI=1S/C13H28N4O.HI/c1-5-14-13(15-8-11(2)3)16-9-12-10-17(4)6-7-18-12;/h11-12H,5-10H2,1-4H3,(H2,14,15,16);1H
InChIKeyKYPSGGPNIICWCH-UHFFFAOYSA-N
XLogP1.15
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 51.15
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-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)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-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111715276
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111931790
2-[2-(4-chlorophenoxy)propyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 111680557
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 111607382
1-ethyl-3-(3-methylbutyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110978053
1-ethyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111368509
2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 109492313
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 111303684
1-butan-2-yl-3-ethyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110944454
1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111368677
1-(2-ethylbutyl)-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111891427
1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111858074

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide (CID 111181186) is 1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(C)C)NCC1CN(C)CCO1.I.
What is the InChIKey of 1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is KYPSGGPNIICWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O.HI/c1-5-14-13(15-8-11(2)3)16-9-12-10-17(4)6-7-18-12;/h11-12H,5-10H2,1-4H3,(H2,14,15,16);1H.
What are the key properties of 1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide?
1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 384.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111181186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).