(1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine

C10H17N3O — CID 104943429

IUPAC(1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1C1CCOC1
InChIInChI=1S/C10H17N3O/c1-2-9(11)10-5-12-7-13(10)8-3-4-14-6-8/h5,7-9H,2-4,6,11H2,1H3/t8?,9-/m1/s1
InChIKeyPQZVEYIPUMGMIV-YGPZHTELSA-N
MW195.27 g/mol
LogP1.25
Rot. Bonds3

About (1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine

(1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine (PubChem CID 104943429) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine
PubChem CID104943429
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1C1CCOC1
InChIInChI=1S/C10H17N3O/c1-2-9(11)10-5-12-7-13(10)8-3-4-14-6-8/h5,7-9H,2-4,6,11H2,1H3/t8?,9-/m1/s1
InChIKeyPQZVEYIPUMGMIV-YGPZHTELSA-N
XLogP1.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 (1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine (CID 104943429) is (1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1C1CCOC1.
What is the InChIKey of (1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine?
The InChIKey is PQZVEYIPUMGMIV-YGPZHTELSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-9(11)10-5-12-7-13(10)8-3-4-14-6-8/h5,7-9H,2-4,6,11H2,1H3/t8?,9-/m1/s1.
What are the key properties of (1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine?
(1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(oxolan-3-yl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104943429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).