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

C8H17N3O2 — CID 107265854

IUPAC1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCC1(O)CCOC1C
InChIInChI=1S/C8H17N3O2/c1-6-8(12,3-4-13-6)5-11-7(9)10-2/h6,12H,3-5H2,1-2H3,(H3,9,10,11)
InChIKeyAHNHGFSNVOKNNV-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.94
Rot. Bonds2

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

1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylguanidine (PubChem CID 107265854) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylguanidine
PubChem CID107265854
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCC1(O)CCOC1C
InChIInChI=1S/C8H17N3O2/c1-6-8(12,3-4-13-6)5-11-7(9)10-2/h6,12H,3-5H2,1-2H3,(H3,9,10,11)
InChIKeyAHNHGFSNVOKNNV-UHFFFAOYSA-N
XLogP-0.94
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.94
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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Related Compounds

1-[(4-Hydroxyoxan-4-yl)methyl]-2-methylguanidine
CID 78929494
1-[(3-Hydroxyoxolan-3-yl)methyl]-2-methylguanidine
CID 103847255
1-[(3-Methoxyoxolan-3-yl)methyl]-2-methylguanidine
CID 104704460
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol
CID 106101014
2-Methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol
CID 106101039
2-[(3-Hydroxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine
CID 106101997
1-Ethyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
CID 106101998
2-[(3-Hydroxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine
CID 106101999
2-[(3-Hydroxyoxolan-3-yl)methyl]-1-propylguanidine
CID 106102002
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-methyloxolan-3-ol
CID 107265853
1-Cyclopropyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine
CID 107265855
1-Cyclopentyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine
CID 107265856

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylguanidine (CID 107265854) is 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylguanidine is C/N=C(\N)NCC1(O)CCOC1C.
What is the InChIKey of 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylguanidine?
The InChIKey is AHNHGFSNVOKNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-6-8(12,3-4-13-6)5-11-7(9)10-2/h6,12H,3-5H2,1-2H3,(H3,9,10,11).
What are the key properties of 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylguanidine?
1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylguanidine has a molecular weight of 187.24 g/mol, XLogP of -0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 107265854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).