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

C9H17N3O — CID 63295776

IUPAC2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
SMILESCn1ccnc1CNCC(C)(C)O
InChIInChI=1S/C9H17N3O/c1-9(2,13)7-10-6-8-11-4-5-12(8)3/h4-5,10,13H,6-7H2,1-3H3
InChIKeyYEBVZBGROFVLMR-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.28
Rot. Bonds4

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

2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol (PubChem CID 63295776) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
PubChem CID63295776
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
SMILESCn1ccnc1CNCC(C)(C)O
InChIInChI=1S/C9H17N3O/c1-9(2,13)7-10-6-8-11-4-5-12(8)3/h4-5,10,13H,6-7H2,1-3H3
InChIKeyYEBVZBGROFVLMR-UHFFFAOYSA-N
XLogP0.28
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 79354937
2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylamino]propanoic acid
CID 79623973
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol
CID 65108978
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117507
2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63296087
2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol
CID 114493001
4,4-dimethyl-6-[(1-methylimidazol-2-yl)methylamino]hexanoic acid
CID 65287582
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 64570643
1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 103731677
2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 61220570
3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 65039838

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol (CID 63295776) is 2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol is Cn1ccnc1CNCC(C)(C)O.
What is the InChIKey of 2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol?
The InChIKey is YEBVZBGROFVLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,13)7-10-6-8-11-4-5-12(8)3/h4-5,10,13H,6-7H2,1-3H3.
What are the key properties of 2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol?
2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.28, 4 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)methylamino]propan-2-ol is sourced from PubChem (CID 63295776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).