1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide

C13H25IN4O3 — CID 119118044

IUPAC1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCCO1)NCCC(=O)N1CCOCC1
InChIInChI=1S/C13H24N4O3.HI/c14-13(16-10-11-2-1-7-20-11)15-4-3-12(18)17-5-8-19-9-6-17;/h11H,1-10H2,(H3,14,15,16);1H
InChIKeyYSHKLZWJIBWVOB-UHFFFAOYSA-N
MW412.27 g/mol
LogP-0.06
Rot. Bonds5

About 1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide

1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide (PubChem CID 119118044) has the molecular formula C13H25IN4O3 and a molecular weight of 412.27 g/mol. Its IUPAC name is 1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
PubChem CID119118044
Molecular FormulaC13H25IN4O3
Molecular Weight412.27 g/mol
Exact Mass412.10
IUPAC Name1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCCO1)NCCC(=O)N1CCOCC1
InChIInChI=1S/C13H24N4O3.HI/c14-13(16-10-11-2-1-7-20-11)15-4-3-12(18)17-5-8-19-9-6-17;/h11H,1-10H2,(H3,14,15,16);1H
InChIKeyYSHKLZWJIBWVOB-UHFFFAOYSA-N
XLogP-0.06
TPSA89.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 5-0.06
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-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)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

N-[3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752321
N-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide
CID 110917892
1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110915259
2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 111054677
1-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine
CID 120973129
1-ethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-(oxolan-2-ylmethyl)guanidine
CID 111140117
1-(oxolan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 47083307
2-amino-N-(3-morpholin-4-yl-3-oxopropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119701833
N-(3-morpholin-4-yl-3-oxopropyl)piperidine-2-carboxamide
CID 112687692
(2R)-N-(3-morpholin-4-yl-3-oxopropyl)piperidine-2-carboxamide
CID 103808375
N-(3-morpholin-4-yl-3-oxopropyl)piperidine-3-carboxamide
CID 115597288
2-(4-fluorophenyl)-N-[2-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]ethyl]acetamide
CID 110916851

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide (CID 119118044) is 1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide is I.N/C(=N\CC1CCCO1)NCCC(=O)N1CCOCC1.
What is the InChIKey of 1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is YSHKLZWJIBWVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3.HI/c14-13(16-10-11-2-1-7-20-11)15-4-3-12(18)17-5-8-19-9-6-17;/h11H,1-10H2,(H3,14,15,16);1H.
What are the key properties of 1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide?
1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 412.27 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-yl-3-oxopropyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 119118044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).