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

C13H23N3O — CID 120671827

IUPAC2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine
SMILESC=C(C)C/N=C(\N)NCC1CCOC1C(=C)C
InChIInChI=1S/C13H23N3O/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)
InChIKeyHCYBVXVJAVCMRA-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.45
Rot. Bonds5

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

2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine (PubChem CID 120671827) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine
PubChem CID120671827
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine
SMILESC=C(C)C/N=C(\N)NCC1CCOC1C(=C)C
InChIInChI=1S/C13H23N3O/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)
InChIKeyHCYBVXVJAVCMRA-UHFFFAOYSA-N
XLogP1.45
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.45
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': '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?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine (CID 120671827) is 2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine is C=C(C)C/N=C(\N)NCC1CCOC1C(=C)C.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine?
The InChIKey is HCYBVXVJAVCMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/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).
What are the key properties of 2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine?
2-(2-methylprop-2-enyl)-1-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine has a molecular weight of 237.35 g/mol, XLogP of 1.45, 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 is sourced from PubChem (CID 120671827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).