2-(5-methyl-1H-imidazol-2-yl)-1-(oxetan-3-yl)propan-2-amine

C10H17N3O — CID 141483758

IUPAC2-(5-methyl-1H-imidazol-2-yl)-1-(oxetan-3-yl)propan-2-amine
SMILESCc1cnc(C(C)(N)CC2COC2)[nH]1
InChIInChI=1S/C10H17N3O/c1-7-4-12-9(13-7)10(2,11)3-8-5-14-6-8/h4,8H,3,5-6,11H2,1-2H3,(H,12,13)
InChIKeyLJWOPVRAORWGAT-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.93
Rot. Bonds3

About 2-(5-methyl-1H-imidazol-2-yl)-1-(oxetan-3-yl)propan-2-amine

2-(5-methyl-1H-imidazol-2-yl)-1-(oxetan-3-yl)propan-2-amine (PubChem CID 141483758) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-2-yl)-1-(oxetan-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-2-yl)-1-(oxetan-3-yl)propan-2-amine
PubChem CID141483758
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(5-methyl-1H-imidazol-2-yl)-1-(oxetan-3-yl)propan-2-amine
SMILESCc1cnc(C(C)(N)CC2COC2)[nH]1
InChIInChI=1S/C10H17N3O/c1-7-4-12-9(13-7)10(2,11)3-8-5-14-6-8/h4,8H,3,5-6,11H2,1-2H3,(H,12,13)
InChIKeyLJWOPVRAORWGAT-UHFFFAOYSA-N
XLogP0.93
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)-1-(oxetan-3-yl)propan-2-amine?
The IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)-1-(oxetan-3-yl)propan-2-amine (CID 141483758) is 2-(5-methyl-1H-imidazol-2-yl)-1-(oxetan-3-yl)propan-2-amine.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-2-yl)-1-(oxetan-3-yl)propan-2-amine?
The canonical SMILES for 2-(5-methyl-1H-imidazol-2-yl)-1-(oxetan-3-yl)propan-2-amine is Cc1cnc(C(C)(N)CC2COC2)[nH]1.
What is the InChIKey of 2-(5-methyl-1H-imidazol-2-yl)-1-(oxetan-3-yl)propan-2-amine?
The InChIKey is LJWOPVRAORWGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-4-12-9(13-7)10(2,11)3-8-5-14-6-8/h4,8H,3,5-6,11H2,1-2H3,(H,12,13).
What are the key properties of 2-(5-methyl-1H-imidazol-2-yl)-1-(oxetan-3-yl)propan-2-amine?
2-(5-methyl-1H-imidazol-2-yl)-1-(oxetan-3-yl)propan-2-amine has a molecular weight of 195.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-2-yl)-1-(oxetan-3-yl)propan-2-amine is sourced from PubChem (CID 141483758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).