2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol

C8H15N3O — CID 65108978

IUPAC2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol
SMILESCn1ccnc1NCC(C)(C)O
InChIInChI=1S/C8H15N3O/c1-8(2,12)6-10-7-9-4-5-11(7)3/h4-5,12H,6H2,1-3H3,(H,9,10)
InChIKeyAZPPCEFAVLLLSX-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.60
Rot. Bonds3

About 2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol

2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol (PubChem CID 65108978) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol
PubChem CID65108978
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol
SMILESCn1ccnc1NCC(C)(C)O
InChIInChI=1S/C8H15N3O/c1-8(2,12)6-10-7-9-4-5-11(7)3/h4-5,12H,6H2,1-3H3,(H,9,10)
InChIKeyAZPPCEFAVLLLSX-UHFFFAOYSA-N
XLogP0.60
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(2-methyl-2-methylsulfonylpropyl)imidazol-2-amine
CID 79561930
2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 63295776
1-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine
CID 83143894
2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
CID 65104045
3-[(1-methylimidazol-2-yl)amino]propane-1,2-diol
CID 66177126
N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide
CID 62133096
N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride
CID 76853743
2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide
CID 62133098
1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine
CID 106430806
N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine
CID 62133824
1-methyl-N-pentan-3-ylimidazol-2-amine
CID 62132399
1-methyl-N-[(2-methyltriazol-4-yl)methyl]imidazol-2-amine
CID 130935235

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol (CID 65108978) is 2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol is Cn1ccnc1NCC(C)(C)O.
What is the InChIKey of 2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol?
The InChIKey is AZPPCEFAVLLLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-8(2,12)6-10-7-9-4-5-11(7)3/h4-5,12H,6H2,1-3H3,(H,9,10).
What are the key properties of 2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol?
2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol has a molecular weight of 169.23 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol is sourced from PubChem (CID 65108978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).