2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine

C10H17N3O — CID 79365132

IUPAC2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine
SMILESCC(C)n1cncc1C1OCCC1N
InChIInChI=1S/C10H17N3O/c1-7(2)13-6-12-5-9(13)10-8(11)3-4-14-10/h5-8,10H,3-4,11H2,1-2H3
InChIKeyNQVKIULGPHVYMB-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.25
Rot. Bonds2

About 2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine

2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine (PubChem CID 79365132) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine.

Molecular Properties

Compound Name2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine
PubChem CID79365132
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine
SMILESCC(C)n1cncc1C1OCCC1N
InChIInChI=1S/C10H17N3O/c1-7(2)13-6-12-5-9(13)10-8(11)3-4-14-10/h5-8,10H,3-4,11H2,1-2H3
InChIKeyNQVKIULGPHVYMB-UHFFFAOYSA-N
XLogP1.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine?
The IUPAC name of 2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine (CID 79365132) is 2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine.
What is the SMILES notation for 2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine?
The canonical SMILES for 2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine is CC(C)n1cncc1C1OCCC1N.
What is the InChIKey of 2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine?
The InChIKey is NQVKIULGPHVYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)13-6-12-5-9(13)10-8(11)3-4-14-10/h5-8,10H,3-4,11H2,1-2H3.
What are the key properties of 2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine?
2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine has a molecular weight of 195.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine is sourced from PubChem (CID 79365132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).