1-Methyl-5-(propan-2-yloxymethyl)imidazol-2-amine

C8H15N3O — CID 117192828

IUPAC1-methyl-5-(propan-2-yloxymethyl)imidazol-2-amine
SMILESCC(C)OCC1=CN=C(N1C)N
InChIInChI=1S/C8H15N3O/c1-6(2)12-5-7-4-10-8(9)11(7)3/h4,6H,5H2,1-3H3,(H2,9,10)
InChIKeyFSHJIFVKLBOCEJ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.20
Rot. Bonds3

About 1-Methyl-5-(propan-2-yloxymethyl)imidazol-2-amine

1-Methyl-5-(propan-2-yloxymethyl)imidazol-2-amine (PubChem CID 117192828) has the molecular formula C8H15N3O and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-methyl-5-(propan-2-yloxymethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-Methyl-5-(propan-2-yloxymethyl)imidazol-2-amine
PubChem CID117192828
Molecular FormulaC8H15N3O
Molecular Weight169.22 g/mol
Exact Mass169.12
IUPAC Name1-methyl-5-(propan-2-yloxymethyl)imidazol-2-amine
SMILESCC(C)OCC1=CN=C(N1C)N
InChIInChI=1S/C8H15N3O/c1-6(2)12-5-7-4-10-8(9)11(7)3/h4,6H,5H2,1-3H3,(H2,9,10)
InChIKeyFSHJIFVKLBOCEJ-UHFFFAOYSA-N
XLogP0.20
TPSA53.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity140

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-1H-imidazol-5-yl)methanol
CID 2773450
[2-(dimethylamino)-1-methyl-1H-imidazol-5-yl]methanol
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(1-methyl-1H-imidazol-4-yl)methanol
CID 7060524
5H,6H,8H-imidazo(4,3-c)(1,4)oxazine
CID 14368849
4-(methoxymethyl)-1H-imidazole
CID 21401481
(2-amino-3-methyl-3H-imidazol-4-yl)methanol
CID 53411272
2-(1-methyl-1H-imidazol-4-yl)morpholine
CID 82597427
[1-(2-methoxyethyl)-1H-imidazol-5-yl]methanol
CID 18670918
19-Methyl-3,6,9,12,15-pentaoxa-19,20-diazabicyclo[15.2.1]-icosa-1(20),17-diene
CID 164575614
Ethoxymethyl-2-methylimidazole
CID 117191588
Oxaburimamide
CID 4491167
CID 58450196
CID 58450196

Frequently Asked Questions

What is the IUPAC name of 1-Methyl-5-(propan-2-yloxymethyl)imidazol-2-amine?
The IUPAC name of 1-Methyl-5-(propan-2-yloxymethyl)imidazol-2-amine (CID 117192828) is 1-methyl-5-(propan-2-yloxymethyl)imidazol-2-amine.
What is the SMILES notation for 1-Methyl-5-(propan-2-yloxymethyl)imidazol-2-amine?
The canonical SMILES for 1-Methyl-5-(propan-2-yloxymethyl)imidazol-2-amine is CC(C)OCC1=CN=C(N1C)N.
What is the InChIKey of 1-Methyl-5-(propan-2-yloxymethyl)imidazol-2-amine?
The InChIKey is FSHJIFVKLBOCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)12-5-7-4-10-8(9)11(7)3/h4,6H,5H2,1-3H3,(H2,9,10).
What are the key properties of 1-Methyl-5-(propan-2-yloxymethyl)imidazol-2-amine?
1-Methyl-5-(propan-2-yloxymethyl)imidazol-2-amine has a molecular weight of 169.22 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Methyl-5-(propan-2-yloxymethyl)imidazol-2-amine is sourced from PubChem (CID 117192828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).