1-cyclopropyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine

C10H19N3O2 — CID 107265855

IUPAC1-cyclopropyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine
SMILESCC1OCCC1(O)C/N=C(\N)NC1CC1
InChIInChI=1S/C10H19N3O2/c1-7-10(14,4-5-15-7)6-12-9(11)13-8-2-3-8/h7-8,14H,2-6H2,1H3,(H3,11,12,13)
InChIKeyWSVKEDREASBCAV-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.41
Rot. Bonds3

About 1-cyclopropyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine

1-cyclopropyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine (PubChem CID 107265855) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine
PubChem CID107265855
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-cyclopropyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine
SMILESCC1OCCC1(O)C/N=C(\N)NC1CC1
InChIInChI=1S/C10H19N3O2/c1-7-10(14,4-5-15-7)6-12-9(11)13-8-2-3-8/h7-8,14H,2-6H2,1H3,(H3,11,12,13)
InChIKeyWSVKEDREASBCAV-UHFFFAOYSA-N
XLogP-0.41
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine (CID 107265855) is 1-cyclopropyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine is CC1OCCC1(O)C/N=C(\N)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine?
The InChIKey is WSVKEDREASBCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7-10(14,4-5-15-7)6-12-9(11)13-8-2-3-8/h7-8,14H,2-6H2,1H3,(H3,11,12,13).
What are the key properties of 1-cyclopropyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine?
1-cyclopropyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine has a molecular weight of 213.28 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 107265855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).