[4-(4,5-dihydro-1H-imidazol-2-ylamino)oxan-4-yl]methanol

C9H17N3O2 — CID 106297490

IUPAC[4-(4,5-dihydro-1H-imidazol-2-ylamino)oxan-4-yl]methanol
SMILESOCC1(NC2=NCCN2)CCOCC1
InChIInChI=1S/C9H17N3O2/c13-7-9(1-5-14-6-2-9)12-8-10-3-4-11-8/h13H,1-7H2,(H2,10,11,12)
InChIKeyBRNPQSPDPRAURG-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.92
Rot. Bonds2

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

[4-(4,5-dihydro-1H-imidazol-2-ylamino)oxan-4-yl]methanol (PubChem CID 106297490) 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)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(4,5-dihydro-1H-imidazol-2-ylamino)oxan-4-yl]methanol
PubChem CID106297490
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name[4-(4,5-dihydro-1H-imidazol-2-ylamino)oxan-4-yl]methanol
SMILESOCC1(NC2=NCCN2)CCOCC1
InChIInChI=1S/C9H17N3O2/c13-7-9(1-5-14-6-2-9)12-8-10-3-4-11-8/h13H,1-7H2,(H2,10,11,12)
InChIKeyBRNPQSPDPRAURG-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)-3-methylpentan-1-ol
CID 106174981
1-Ethyl-3-(2-hydroxyethyl)-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111986363
2-Cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine
CID 113236757
[4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]oxan-4-yl]methanol
CID 114277317
2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylbutan-1-ol
CID 114400186
N-(4-methyloxan-4-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 114400434
4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]oxan-4-ol
CID 115612131
[4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol;hydroiodide
CID 120971770
[4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]oxan-4-yl]methanol
CID 120971771
[3-(1,4,5,6-Tetrahydropyrimidin-2-ylamino)oxolan-3-yl]methanol
CID 130816362

Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dihydro-1H-imidazol-2-ylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(4,5-dihydro-1H-imidazol-2-ylamino)oxan-4-yl]methanol (CID 106297490) is [4-(4,5-dihydro-1H-imidazol-2-ylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(4,5-dihydro-1H-imidazol-2-ylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(4,5-dihydro-1H-imidazol-2-ylamino)oxan-4-yl]methanol is OCC1(NC2=NCCN2)CCOCC1.
What is the InChIKey of [4-(4,5-dihydro-1H-imidazol-2-ylamino)oxan-4-yl]methanol?
The InChIKey is BRNPQSPDPRAURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c13-7-9(1-5-14-6-2-9)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)oxan-4-yl]methanol?
[4-(4,5-dihydro-1H-imidazol-2-ylamino)oxan-4-yl]methanol 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)oxan-4-yl]methanol is sourced from PubChem (CID 106297490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).