2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylguanidine

C10H21N3O2 — CID 107265934

IUPAC2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC1(O)CCOC1C
InChIInChI=1S/C10H21N3O2/c1-7(2)13-9(11)12-6-10(14)4-5-15-8(10)3/h7-8,14H,4-6H2,1-3H3,(H3,11,12,13)
InChIKeyXIMKULMHCNCBOQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.16
Rot. Bonds3

About 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylguanidine

2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylguanidine (PubChem CID 107265934) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylguanidine
PubChem CID107265934
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC1(O)CCOC1C
InChIInChI=1S/C10H21N3O2/c1-7(2)13-9(11)12-6-10(14)4-5-15-8(10)3/h7-8,14H,4-6H2,1-3H3,(H3,11,12,13)
InChIKeyXIMKULMHCNCBOQ-UHFFFAOYSA-N
XLogP-0.16
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.16
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-propan-2-ylguanidine?
The IUPAC name of 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylguanidine (CID 107265934) is 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CC1(O)CCOC1C.
What is the InChIKey of 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylguanidine?
The InChIKey is XIMKULMHCNCBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7(2)13-9(11)12-6-10(14)4-5-15-8(10)3/h7-8,14H,4-6H2,1-3H3,(H3,11,12,13).
What are the key properties of 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylguanidine?
2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylguanidine has a molecular weight of 215.30 g/mol, XLogP of -0.16, 3 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-propan-2-ylguanidine is sourced from PubChem (CID 107265934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).