N-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine

C11H19N3O — CID 65329562

IUPACN-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C2CCOC2)[nH]1
InChIInChI=1S/C11H19N3O/c1-8(2)12-5-10-6-13-11(14-10)9-3-4-15-7-9/h6,8-9,12H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyVCIBAQNUBRGKIS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.41
Rot. Bonds4

About N-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine

N-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 65329562) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID65329562
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C2CCOC2)[nH]1
InChIInChI=1S/C11H19N3O/c1-8(2)12-5-10-6-13-11(14-10)9-3-4-15-7-9/h6,8-9,12H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyVCIBAQNUBRGKIS-UHFFFAOYSA-N
XLogP1.41
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine (CID 65329562) is N-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(C2CCOC2)[nH]1.
What is the InChIKey of N-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is VCIBAQNUBRGKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)12-5-10-6-13-11(14-10)9-3-4-15-7-9/h6,8-9,12H,3-5,7H2,1-2H3,(H,13,14).
What are the key properties of N-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine?
N-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 65329562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).