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

C9H17N3O — CID 65102733

IUPAC2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol
SMILESCc1[nH]cnc1CNCC(C)(C)O
InChIInChI=1S/C9H17N3O/c1-7-8(12-6-11-7)4-10-5-9(2,3)13/h6,10,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyJCSBVDOOGDRGPG-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.58
Rot. Bonds4

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

2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol (PubChem CID 65102733) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol
PubChem CID65102733
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol
SMILESCc1[nH]cnc1CNCC(C)(C)O
InChIInChI=1S/C9H17N3O/c1-7-8(12-6-11-7)4-10-5-9(2,3)13/h6,10,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyJCSBVDOOGDRGPG-UHFFFAOYSA-N
XLogP0.58
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol (CID 65102733) is 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol is Cc1[nH]cnc1CNCC(C)(C)O.
What is the InChIKey of 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol?
The InChIKey is JCSBVDOOGDRGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7-8(12-6-11-7)4-10-5-9(2,3)13/h6,10,13H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol?
2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 65102733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).