4-methyl-2-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol

C11H21N3O — CID 62741629

IUPAC4-methyl-2-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
SMILESCc1ncc(CNC(CO)CC(C)C)[nH]1
InChIInChI=1S/C11H21N3O/c1-8(2)4-10(7-15)13-6-11-5-12-9(3)14-11/h5,8,10,13,15H,4,6-7H2,1-3H3,(H,12,14)
InChIKeyLVGGYENDUPLHQB-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.21
Rot. Bonds6

About 4-methyl-2-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol

4-methyl-2-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol (PubChem CID 62741629) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-methyl-2-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
PubChem CID62741629
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-methyl-2-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
SMILESCc1ncc(CNC(CO)CC(C)C)[nH]1
InChIInChI=1S/C11H21N3O/c1-8(2)4-10(7-15)13-6-11-5-12-9(3)14-11/h5,8,10,13,15H,4,6-7H2,1-3H3,(H,12,14)
InChIKeyLVGGYENDUPLHQB-UHFFFAOYSA-N
XLogP1.21
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol (CID 62741629) is 4-methyl-2-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol is Cc1ncc(CNC(CO)CC(C)C)[nH]1.
What is the InChIKey of 4-methyl-2-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol?
The InChIKey is LVGGYENDUPLHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)4-10(7-15)13-6-11-5-12-9(3)14-11/h5,8,10,13,15H,4,6-7H2,1-3H3,(H,12,14).
What are the key properties of 4-methyl-2-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol?
4-methyl-2-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 62741629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).