(2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol

C11H21N3O — CID 104868842

IUPAC(2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cncn1C(C)C
InChIInChI=1S/C11H21N3O/c1-4-10(7-15)13-6-11-5-12-8-14(11)9(2)3/h5,8-10,13,15H,4,6-7H2,1-3H3/t10-/m1/s1
InChIKeyFFXRLBQUASDPDC-SNVBAGLBSA-N
MW211.31 g/mol
LogP1.32
Rot. Bonds6

About (2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol

(2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol (PubChem CID 104868842) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
PubChem CID104868842
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cncn1C(C)C
InChIInChI=1S/C11H21N3O/c1-4-10(7-15)13-6-11-5-12-8-14(11)9(2)3/h5,8-10,13,15H,4,6-7H2,1-3H3/t10-/m1/s1
InChIKeyFFXRLBQUASDPDC-SNVBAGLBSA-N
XLogP1.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol (CID 104868842) is (2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol is CC[C@H](CO)NCc1cncn1C(C)C.
What is the InChIKey of (2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol?
The InChIKey is FFXRLBQUASDPDC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-10(7-15)13-6-11-5-12-8-14(11)9(2)3/h5,8-10,13,15H,4,6-7H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol?
(2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 104868842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).