(2R)-4-methyl-2-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol

C11H21N3O — CID 11572029

IUPAC(2R)-4-methyl-2-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol
SMILESCC(C)C[C@H](CO)NCc1nccn1C
InChIInChI=1S/C11H21N3O/c1-9(2)6-10(8-15)13-7-11-12-4-5-14(11)3/h4-5,9-10,13,15H,6-8H2,1-3H3/t10-/m1/s1
InChIKeyNACHHPZEQFEJDZ-SNVBAGLBSA-N
MW211.31 g/mol
LogP0.92
Rot. Bonds6

About (2R)-4-methyl-2-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol

(2R)-4-methyl-2-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol (PubChem CID 11572029) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol
PubChem CID11572029
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(2R)-4-methyl-2-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol
SMILESCC(C)C[C@H](CO)NCc1nccn1C
InChIInChI=1S/C11H21N3O/c1-9(2)6-10(8-15)13-7-11-12-4-5-14(11)3/h4-5,9-10,13,15H,6-8H2,1-3H3/t10-/m1/s1
InChIKeyNACHHPZEQFEJDZ-SNVBAGLBSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol?
The IUPAC name of (2R)-4-methyl-2-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol (CID 11572029) is (2R)-4-methyl-2-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol.
What is the SMILES notation for (2R)-4-methyl-2-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol?
The canonical SMILES for (2R)-4-methyl-2-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol is CC(C)C[C@H](CO)NCc1nccn1C.
What is the InChIKey of (2R)-4-methyl-2-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol?
The InChIKey is NACHHPZEQFEJDZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)6-10(8-15)13-7-11-12-4-5-14(11)3/h4-5,9-10,13,15H,6-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol?
(2R)-4-methyl-2-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 11572029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).