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

C9H17N3O2 — CID 115612131

IUPAC4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxan-4-ol
SMILESOC1(CNC2=NCCN2)CCOCC1
InChIInChI=1S/C9H17N3O2/c13-9(1-5-14-6-2-9)7-12-8-10-3-4-11-8/h13H,1-7H2,(H2,10,11,12)
InChIKeyNQDMEVVAWXAUPW-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.92
Rot. Bonds2

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

4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxan-4-ol (PubChem CID 115612131) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxan-4-ol
PubChem CID115612131
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxan-4-ol
SMILESOC1(CNC2=NCCN2)CCOCC1
InChIInChI=1S/C9H17N3O2/c13-9(1-5-14-6-2-9)7-12-8-10-3-4-11-8/h13H,1-7H2,(H2,10,11,12)
InChIKeyNQDMEVVAWXAUPW-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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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxan-4-ol (CID 115612131) is 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxan-4-ol is OC1(CNC2=NCCN2)CCOCC1.
What is the InChIKey of 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxan-4-ol?
The InChIKey is NQDMEVVAWXAUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c13-9(1-5-14-6-2-9)7-12-8-10-3-4-11-8/h13H,1-7H2,(H2,10,11,12).
What are the key properties of 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxan-4-ol?
4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxan-4-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 4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxan-4-ol is sourced from PubChem (CID 115612131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).