3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol

C8H15N3O2 — CID 103847253

IUPAC3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol
SMILESOC1(CNC2=NCCN2)CCOC1
InChIInChI=1S/C8H15N3O2/c12-8(1-4-13-6-8)5-11-7-9-2-3-10-7/h12H,1-6H2,(H2,9,10,11)
InChIKeyAWPCKJOAWJPVOL-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.31
Rot. Bonds2

About 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol

3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol (PubChem CID 103847253) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol
PubChem CID103847253
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol
SMILESOC1(CNC2=NCCN2)CCOC1
InChIInChI=1S/C8H15N3O2/c12-8(1-4-13-6-8)5-11-7-9-2-3-10-7/h12H,1-6H2,(H2,9,10,11)
InChIKeyAWPCKJOAWJPVOL-UHFFFAOYSA-N
XLogP-1.31
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-Cyclopentyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
CID 103847252
1-Cyclopropyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
CID 103847254
1-[(3-Hydroxyoxolan-3-yl)methyl]-2-methylguanidine
CID 103847255
N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 104704461
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
N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 120972150
N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 120972151
N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972152

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol (CID 103847253) is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol is OC1(CNC2=NCCN2)CCOC1.
What is the InChIKey of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol?
The InChIKey is AWPCKJOAWJPVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c12-8(1-4-13-6-8)5-11-7-9-2-3-10-7/h12H,1-6H2,(H2,9,10,11).
What are the key properties of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol?
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol has a molecular weight of 185.23 g/mol, XLogP of -1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 103847253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).