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

C9H17N3O2 — CID 107265853

IUPAC3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNC1=NCCN1
InChIInChI=1S/C9H17N3O2/c1-7-9(13,2-5-14-7)6-12-8-10-3-4-11-8/h7,13H,2-6H2,1H3,(H2,10,11,12)
InChIKeyWHUWSUSOZTYSEL-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.92
Rot. Bonds2

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

3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-methyloxolan-3-ol (PubChem CID 107265853) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-methyloxolan-3-ol
PubChem CID107265853
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNC1=NCCN1
InChIInChI=1S/C9H17N3O2/c1-7-9(13,2-5-14-7)6-12-8-10-3-4-11-8/h7,13H,2-6H2,1H3,(H2,10,11,12)
InChIKeyWHUWSUSOZTYSEL-UHFFFAOYSA-N
XLogP-0.92
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxolan-3-ol
CID 103847253
N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 104704461
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol
CID 106101014
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-propylguanidine
CID 106102002
1-[(3-Hydroxy-2-methyloxolan-3-yl)methyl]-2-methylguanidine
CID 107265854
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
1-Tert-butyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine
CID 107265933
2-[(3-Hydroxy-2-methyloxolan-3-yl)methyl]-1-propan-2-ylguanidine
CID 107265934
1-Ethyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]guanidine
CID 107265935

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-methyloxolan-3-ol (CID 107265853) is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNC1=NCCN1.
What is the InChIKey of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-methyloxolan-3-ol?
The InChIKey is WHUWSUSOZTYSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7-9(13,2-5-14-7)6-12-8-10-3-4-11-8/h7,13H,2-6H2,1H3,(H2,10,11,12).
What are the key properties of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-methyloxolan-3-ol?
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-methyloxolan-3-ol has a molecular weight of 199.25 g/mol, XLogP of -0.92, 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]-2-methyloxolan-3-ol is sourced from PubChem (CID 107265853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).