(3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine

C8H13N3O — CID 23583388

IUPAC(3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine
SMILESN[C@@H]1CC[C@@H](c2cnc[nH]2)OC1
InChIInChI=1S/C8H13N3O/c9-6-1-2-8(12-4-6)7-3-10-5-11-7/h3,5-6,8H,1-2,4,9H2,(H,10,11)/t6-,8+/m1/s1
InChIKeyVYFOVIWVTRKVSX-SVRRBLITSA-N
MW167.21 g/mol
LogP0.59
Rot. Bonds1

About (3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine

(3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine (PubChem CID 23583388) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine.

Molecular Properties

Compound Name(3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine
PubChem CID23583388
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine
SMILESN[C@@H]1CC[C@@H](c2cnc[nH]2)OC1
InChIInChI=1S/C8H13N3O/c9-6-1-2-8(12-4-6)7-3-10-5-11-7/h3,5-6,8H,1-2,4,9H2,(H,10,11)/t6-,8+/m1/s1
InChIKeyVYFOVIWVTRKVSX-SVRRBLITSA-N
XLogP0.59
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine
CID 10419556
trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine
CID 10240978
(2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol
CID 15868501
5-(3-deuteriooxetan-3-yl)-1H-imidazole
CID 175941981
4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one
CID 57157791
[(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine
CID 127051958
5-(2-methylcyclopropyl)-1H-imidazole
CID 72588094
5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole
CID 45120848
4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde
CID 142698027
5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride
CID 75485523
N-(cyclopentylmethyl)-1H-imidazol-5-amine
CID 131176370
2-(1H-imidazol-5-yl)imidazolidin-4-one
CID 130626226

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine?
The IUPAC name of (3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine (CID 23583388) is (3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine.
What is the SMILES notation for (3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine?
The canonical SMILES for (3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine is N[C@@H]1CC[C@@H](c2cnc[nH]2)OC1.
What is the InChIKey of (3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine?
The InChIKey is VYFOVIWVTRKVSX-SVRRBLITSA-N. The full InChI is InChI=1S/C8H13N3O/c9-6-1-2-8(12-4-6)7-3-10-5-11-7/h3,5-6,8H,1-2,4,9H2,(H,10,11)/t6-,8+/m1/s1.
What are the key properties of (3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine?
(3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine has a molecular weight of 167.21 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine is sourced from PubChem (CID 23583388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).