1-[1-(oxolan-3-yl)imidazol-4-yl]butan-2-amine

C11H19N3O — CID 106721304

IUPAC1-[1-(oxolan-3-yl)imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(C2CCOC2)cn1
InChIInChI=1S/C11H19N3O/c1-2-9(12)5-10-6-14(8-13-10)11-3-4-15-7-11/h6,8-9,11H,2-5,7,12H2,1H3
InChIKeyWPHQCMKEQBTVHX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.12
Rot. Bonds4

About 1-[1-(oxolan-3-yl)imidazol-4-yl]butan-2-amine

1-[1-(oxolan-3-yl)imidazol-4-yl]butan-2-amine (PubChem CID 106721304) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[1-(oxolan-3-yl)imidazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(oxolan-3-yl)imidazol-4-yl]butan-2-amine
PubChem CID106721304
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[1-(oxolan-3-yl)imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(C2CCOC2)cn1
InChIInChI=1S/C11H19N3O/c1-2-9(12)5-10-6-14(8-13-10)11-3-4-15-7-11/h6,8-9,11H,2-5,7,12H2,1H3
InChIKeyWPHQCMKEQBTVHX-UHFFFAOYSA-N
XLogP1.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-3-yl)imidazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1-(oxolan-3-yl)imidazol-4-yl]butan-2-amine (CID 106721304) is 1-[1-(oxolan-3-yl)imidazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(oxolan-3-yl)imidazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1-(oxolan-3-yl)imidazol-4-yl]butan-2-amine is CCC(N)Cc1cn(C2CCOC2)cn1.
What is the InChIKey of 1-[1-(oxolan-3-yl)imidazol-4-yl]butan-2-amine?
The InChIKey is WPHQCMKEQBTVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-9(12)5-10-6-14(8-13-10)11-3-4-15-7-11/h6,8-9,11H,2-5,7,12H2,1H3.
What are the key properties of 1-[1-(oxolan-3-yl)imidazol-4-yl]butan-2-amine?
1-[1-(oxolan-3-yl)imidazol-4-yl]butan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-3-yl)imidazol-4-yl]butan-2-amine is sourced from PubChem (CID 106721304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).