1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-prop-2-enylguanidine

C11H21N3O — CID 109382928

IUPAC1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)N(C)CC1CCOC1
InChIInChI=1S/C11H21N3O/c1-4-6-13-11(12-2)14(3)8-10-5-7-15-9-10/h4,10H,1,5-9H2,2-3H3,(H,12,13)
InChIKeyPIZIDYFDGJFXHR-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.72
Rot. Bonds4

About 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-prop-2-enylguanidine

1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-prop-2-enylguanidine (PubChem CID 109382928) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-prop-2-enylguanidine
PubChem CID109382928
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)N(C)CC1CCOC1
InChIInChI=1S/C11H21N3O/c1-4-6-13-11(12-2)14(3)8-10-5-7-15-9-10/h4,10H,1,5-9H2,2-3H3,(H,12,13)
InChIKeyPIZIDYFDGJFXHR-UHFFFAOYSA-N
XLogP0.72
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-2-(3-fluoropropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109384070
3-(3-Fluoropropyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109384465
1-(3-Ethoxypropyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine
CID 54738851
1-(3-ethoxypropyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-3-prop-2-enylguanidine
CID 95293371
1-(3-ethoxypropyl)-2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-3-prop-2-enylguanidine
CID 95293372
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(E)-pent-3-enyl]guanidine;hydroiodide
CID 109381419
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(E)-pent-3-enyl]guanidine
CID 109381420
3-(3,3-Dimethylbutyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109381476
2,3-Diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109382031
2,3-Diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109382032
3-Ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-prop-2-enylguanidine;hydroiodide
CID 109382139
3-Ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-prop-2-enylguanidine
CID 109382140

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-prop-2-enylguanidine?
The IUPAC name of 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-prop-2-enylguanidine (CID 109382928) is 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-prop-2-enylguanidine.
What is the SMILES notation for 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-prop-2-enylguanidine?
The canonical SMILES for 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-prop-2-enylguanidine is C=CCN/C(=N\C)N(C)CC1CCOC1.
What is the InChIKey of 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-prop-2-enylguanidine?
The InChIKey is PIZIDYFDGJFXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-6-13-11(12-2)14(3)8-10-5-7-15-9-10/h4,10H,1,5-9H2,2-3H3,(H,12,13).
What are the key properties of 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-prop-2-enylguanidine?
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-prop-2-enylguanidine has a molecular weight of 211.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-prop-2-enylguanidine is sourced from PubChem (CID 109382928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).