1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C19H34IN5O — CID 111193491

IUPAC1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C(C)C)N1CCOCC1)NCCc1ccccn1.I
InChIInChI=1S/C19H33N5O.HI/c1-4-20-19(22-10-8-17-7-5-6-9-21-17)23-15-18(16(2)3)24-11-13-25-14-12-24;/h5-7,9,16,18H,4,8,10-15H2,1-3H3,(H2,20,22,23);1H
InChIKeyCUCKMPQVBQOXPX-UHFFFAOYSA-N
MW475.42 g/mol
LogP2.15
Rot. Bonds8

About 1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide

1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111193491) has the molecular formula C19H34IN5O and a molecular weight of 475.42 g/mol. Its IUPAC name is 1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111193491
Molecular FormulaC19H34IN5O
Molecular Weight475.42 g/mol
Exact Mass475.18
IUPAC Name1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C(C)C)N1CCOCC1)NCCc1ccccn1.I
InChIInChI=1S/C19H33N5O.HI/c1-4-20-19(22-10-8-17-7-5-6-9-21-17)23-15-18(16(2)3)24-11-13-25-14-12-24;/h5-7,9,16,18H,4,8,10-15H2,1-3H3,(H2,20,22,23);1H
InChIKeyCUCKMPQVBQOXPX-UHFFFAOYSA-N
XLogP2.15
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-pyridin-2-ylethyl)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-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111191306
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006570
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111931841
1-[2-(2,3-difluorophenyl)ethyl]-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111566786
N-[4-[2-[[N-ethyl-N'-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]ethyl]phenyl]acetamide
CID 111930323
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111931642
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1-ethyl-2-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191741
1-ethyl-2-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193149
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188264
1-ethyl-3-(2-methoxyethyl)-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 110942554
1-ethyl-3-(2-methoxyethyl)-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 110942553

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111193491) is 1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide is CCN/C(=N\CC(C(C)C)N1CCOCC1)NCCc1ccccn1.I.
What is the InChIKey of 1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is CUCKMPQVBQOXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O.HI/c1-4-20-19(22-10-8-17-7-5-6-9-21-17)23-15-18(16(2)3)24-11-13-25-14-12-24;/h5-7,9,16,18H,4,8,10-15H2,1-3H3,(H2,20,22,23);1H.
What are the key properties of 1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 475.42 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111193491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).