dimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium

C10H20N3O+ — CID 78225999

IUPACdimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium
SMILESC[C@H](CCOc1nccn1C)[NH+](C)C
InChIInChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/p+1/t9-/m1/s1
InChIKeyVPQCJEWNIYWNLE-SECBINFHSA-O
MW198.29 g/mol
LogP-0.28
Rot. Bonds5

About dimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium

dimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium (PubChem CID 78225999) has the molecular formula C10H20N3O+ and a molecular weight of 198.29 g/mol. Its IUPAC name is dimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium.

Molecular Properties

Compound Namedimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium
PubChem CID78225999
Molecular FormulaC10H20N3O+
Molecular Weight198.29 g/mol
Exact Mass198.16
IUPAC Namedimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium
SMILESC[C@H](CCOc1nccn1C)[NH+](C)C
InChIInChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/p+1/t9-/m1/s1
InChIKeyVPQCJEWNIYWNLE-SECBINFHSA-O
XLogP-0.28
TPSA31.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium?
The IUPAC name of dimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium (CID 78225999) is dimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium.
What is the SMILES notation for dimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium?
The canonical SMILES for dimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium is C[C@H](CCOc1nccn1C)[NH+](C)C.
What is the InChIKey of dimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium?
The InChIKey is VPQCJEWNIYWNLE-SECBINFHSA-O. The full InChI is InChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/p+1/t9-/m1/s1.
What are the key properties of dimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium?
dimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium has a molecular weight of 198.29 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium is sourced from PubChem (CID 78225999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).