[2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine

C8H13N3O — CID 65329506

IUPAC[2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(C2CCOC2)[nH]1
InChIInChI=1S/C8H13N3O/c9-3-7-4-10-8(11-7)6-1-2-12-5-6/h4,6H,1-3,5,9H2,(H,10,11)
InChIKeyKYBMTSCBGFTVPQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.37
Rot. Bonds2

About [2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine

[2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine (PubChem CID 65329506) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is [2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine
PubChem CID65329506
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name[2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(C2CCOC2)[nH]1
InChIInChI=1S/C8H13N3O/c9-3-7-4-10-8(11-7)6-1-2-12-5-6/h4,6H,1-3,5,9H2,(H,10,11)
InChIKeyKYBMTSCBGFTVPQ-UHFFFAOYSA-N
XLogP0.37
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine (CID 65329506) is [2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine is NCc1cnc(C2CCOC2)[nH]1.
What is the InChIKey of [2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine?
The InChIKey is KYBMTSCBGFTVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-3-7-4-10-8(11-7)6-1-2-12-5-6/h4,6H,1-3,5,9H2,(H,10,11).
What are the key properties of [2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine?
[2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine has a molecular weight of 167.21 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 65329506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).