1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine

C14H25N3O2 — CID 122082594

IUPAC1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine
SMILESC=C(C)C1OCCC1C/N=C(\N)NCC1CCCO1
InChIInChI=1S/C14H25N3O2/c1-10(2)13-11(5-7-19-13)8-16-14(15)17-9-12-4-3-6-18-12/h11-13H,1,3-9H2,2H3,(H3,15,16,17)
InChIKeyCTDVCWYJPXRKCQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.05
Rot. Bonds5

About 1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine

1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine (PubChem CID 122082594) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine
PubChem CID122082594
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine
SMILESC=C(C)C1OCCC1C/N=C(\N)NCC1CCCO1
InChIInChI=1S/C14H25N3O2/c1-10(2)13-11(5-7-19-13)8-16-14(15)17-9-12-4-3-6-18-12/h11-13H,1,3-9H2,2H3,(H3,15,16,17)
InChIKeyCTDVCWYJPXRKCQ-UHFFFAOYSA-N
XLogP1.05
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.05
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(oxan-4-ylmethyl)-1-(oxolan-2-ylmethyl)guanidine
CID 119118912
2-[(4-methylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine
CID 95292400
2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119117160
2-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 119120963
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine;hydroiodide
CID 120671792
2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 111969230
2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine
CID 111335963
2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 110913403
N'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120671818
2-[(1-methylsulfonylcyclopropyl)methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 120662757
[(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine
CID 99963912
1-(oxolan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 47083307

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine (CID 122082594) is 1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine is C=C(C)C1OCCC1C/N=C(\N)NCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine?
The InChIKey is CTDVCWYJPXRKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)13-11(5-7-19-13)8-16-14(15)17-9-12-4-3-6-18-12/h11-13H,1,3-9H2,2H3,(H3,15,16,17).
What are the key properties of 1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine?
1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine has a molecular weight of 267.37 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 122082594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).