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

C12H23N3O — CID 122082603

IUPAC1-propan-2-yl-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine
SMILESC=C(C)C1OCCC1C/N=C(\N)NC(C)C
InChIInChI=1S/C12H23N3O/c1-8(2)11-10(5-6-16-11)7-14-12(13)15-9(3)4/h9-11H,1,5-7H2,2-4H3,(H3,13,14,15)
InChIKeyMTTZZKOZZKNUQO-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.28
Rot. Bonds4

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

1-propan-2-yl-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine (PubChem CID 122082603) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-propan-2-yl-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-propan-2-yl-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine
PubChem CID122082603
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-propan-2-yl-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine
SMILESC=C(C)C1OCCC1C/N=C(\N)NC(C)C
InChIInChI=1S/C12H23N3O/c1-8(2)11-10(5-6-16-11)7-14-12(13)15-9(3)4/h9-11H,1,5-7H2,2-4H3,(H3,13,14,15)
InChIKeyMTTZZKOZZKNUQO-UHFFFAOYSA-N
XLogP1.28
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.28
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 1-propan-2-yl-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine?
The IUPAC name of 1-propan-2-yl-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine (CID 122082603) is 1-propan-2-yl-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-propan-2-yl-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine?
The canonical SMILES for 1-propan-2-yl-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine is C=C(C)C1OCCC1C/N=C(\N)NC(C)C.
What is the InChIKey of 1-propan-2-yl-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine?
The InChIKey is MTTZZKOZZKNUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-8(2)11-10(5-6-16-11)7-14-12(13)15-9(3)4/h9-11H,1,5-7H2,2-4H3,(H3,13,14,15).
What are the key properties of 1-propan-2-yl-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine?
1-propan-2-yl-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine has a molecular weight of 225.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 122082603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).