2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

C10H22IN3O3 — CID 119119474

IUPAC2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/CC1COCCO1.I
InChIInChI=1S/C10H21N3O3.HI/c1-8(6-14-2)13-10(11)12-5-9-7-15-3-4-16-9;/h8-9H,3-7H2,1-2H3,(H3,11,12,13);1H
InChIKeyBXMMUWNBHZSTEB-UHFFFAOYSA-N
MW359.21 g/mol
LogP-0.04
Rot. Bonds5

About 2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (PubChem CID 119119474) has the molecular formula C10H22IN3O3 and a molecular weight of 359.21 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
PubChem CID119119474
Molecular FormulaC10H22IN3O3
Molecular Weight359.21 g/mol
Exact Mass359.07
IUPAC Name2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/CC1COCCO1.I
InChIInChI=1S/C10H21N3O3.HI/c1-8(6-14-2)13-10(11)12-5-9-7-15-3-4-16-9;/h8-9H,3-7H2,1-2H3,(H3,11,12,13);1H
InChIKeyBXMMUWNBHZSTEB-UHFFFAOYSA-N
XLogP-0.04
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 5-0.04
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 2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)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-(1-methoxypropan-2-yl)-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111041892
1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800036
2-[(2-tert-butyloxan-3-yl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111816129
1-(1-methoxypropan-2-yl)-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111818576
2-[(4-ethylcyclohexyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111076597
N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine
CID 62535870
2-(cyclooctylmethyl)-1-(1-methoxypropan-2-yl)guanidine
CID 111075413
1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine
CID 122097515
1-amino-2-(1,4-dioxan-2-ylmethyl)-3-(2-methoxyethyl)guanidine
CID 104884346
1-(1-methoxypropan-2-yl)-2-[(6-oxopiperidin-2-yl)methyl]guanidine;hydroiodide
CID 120606171
1-(1-methoxypropan-2-yl)-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111077574
2-[(1-ethylpiperidin-2-yl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111803465

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The IUPAC name of 2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (CID 119119474) is 2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is COCC(C)N/C(N)=N/CC1COCCO1.I.
What is the InChIKey of 2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The InChIKey is BXMMUWNBHZSTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3.HI/c1-8(6-14-2)13-10(11)12-5-9-7-15-3-4-16-9;/h8-9H,3-7H2,1-2H3,(H3,11,12,13);1H.
What are the key properties of 2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide has a molecular weight of 359.21 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 119119474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).