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

C11H23N3O2 — CID 107265936

IUPAC2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(N)=N/CC1(O)CCOC1C
InChIInChI=1S/C11H23N3O2/c1-8(2)6-13-10(12)14-7-11(15)4-5-16-9(11)3/h8-9,15H,4-7H2,1-3H3,(H3,12,13,14)
InChIKeyLZJIKXSGRSAPHU-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.09
Rot. Bonds4

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

2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine (PubChem CID 107265936) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine
PubChem CID107265936
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(N)=N/CC1(O)CCOC1C
InChIInChI=1S/C11H23N3O2/c1-8(2)6-13-10(12)14-7-11(15)4-5-16-9(11)3/h8-9,15H,4-7H2,1-3H3,(H3,12,13,14)
InChIKeyLZJIKXSGRSAPHU-UHFFFAOYSA-N
XLogP0.09
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.09
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 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine?
The IUPAC name of 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine (CID 107265936) is 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine?
The canonical SMILES for 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine is CC(C)CN/C(N)=N/CC1(O)CCOC1C.
What is the InChIKey of 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine?
The InChIKey is LZJIKXSGRSAPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8(2)6-13-10(12)14-7-11(15)4-5-16-9(11)3/h8-9,15H,4-7H2,1-3H3,(H3,12,13,14).
What are the key properties of 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine?
2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine has a molecular weight of 229.32 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 107265936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).