2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine;hydroiodide

C13H24IN3O — CID 120671826

IUPAC2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCC1CCOC1C(=C)C.I
InChIInChI=1S/C13H23N3O.HI/c1-9(2)7-15-13(14)16-8-11-5-6-17-12(11)10(3)4;/h11-12H,1,3,5-8H2,2,4H3,(H3,14,15,16);1H
InChIKeyMEHNDLIPDKCGHG-UHFFFAOYSA-N
MW365.26 g/mol
LogP2.07
Rot. Bonds5

About 2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine;hydroiodide

2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine;hydroiodide (PubChem CID 120671826) has the molecular formula C13H24IN3O and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine;hydroiodide
PubChem CID120671826
Molecular FormulaC13H24IN3O
Molecular Weight365.26 g/mol
Exact Mass365.10
IUPAC Name2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCC1CCOC1C(=C)C.I
InChIInChI=1S/C13H23N3O.HI/c1-9(2)7-15-13(14)16-8-11-5-6-17-12(11)10(3)4;/h11-12H,1,3,5-8H2,2,4H3,(H3,14,15,16);1H
InChIKeyMEHNDLIPDKCGHG-UHFFFAOYSA-N
XLogP2.07
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine;hydroiodide (CID 120671826) is 2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine;hydroiodide is C=C(C)C/N=C(\N)NCC1CCOC1C(=C)C.I.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine;hydroiodide?
The InChIKey is MEHNDLIPDKCGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O.HI/c1-9(2)7-15-13(14)16-8-11-5-6-17-12(11)10(3)4;/h11-12H,1,3,5-8H2,2,4H3,(H3,14,15,16);1H.
What are the key properties of 2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine;hydroiodide?
2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine;hydroiodide has a molecular weight of 365.26 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 120671826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).