[5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine

C9H15N3O — CID 115015957

IUPAC[5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine
SMILESCc1[nH]c(C2CCOC2)nc1CN
InChIInChI=1S/C9H15N3O/c1-6-8(4-10)12-9(11-6)7-2-3-13-5-7/h7H,2-5,10H2,1H3,(H,11,12)
InChIKeyANYIVGTUXFZDGT-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.68
Rot. Bonds2

About [5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine

[5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine (PubChem CID 115015957) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine
PubChem CID115015957
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine
SMILESCc1[nH]c(C2CCOC2)nc1CN
InChIInChI=1S/C9H15N3O/c1-6-8(4-10)12-9(11-6)7-2-3-13-5-7/h7H,2-5,10H2,1H3,(H,11,12)
InChIKeyANYIVGTUXFZDGT-UHFFFAOYSA-N
XLogP0.68
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carbaldehyde
CID 115015606
5-methyl-2-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid
CID 115020549
[2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 115037326
[2-(oxolan-3-yl)-1H-imidazol-5-yl]methanamine
CID 65329506
2-cyclopropyl-4-ethyl-5-methyl-1H-imidazole
CID 123293833
4-bromo-5-methyl-2-(oxan-4-yl)-1H-imidazole
CID 153493525
2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione
CID 83241763
5-methyl-2-(oxolan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 81136991
6-methyl-2-(oxolan-3-yl)-1H-benzimidazole
CID 61311575
4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 137264745
5,6-dimethyl-2-(oxan-4-yl)-1H-pyrimidine-4-thione
CID 106476727
3-(4-ethyl-5-methyl-1H-imidazol-2-yl)morpholine
CID 105449249

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine?
The IUPAC name of [5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine (CID 115015957) is [5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine.
What is the SMILES notation for [5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine?
The canonical SMILES for [5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine is Cc1[nH]c(C2CCOC2)nc1CN.
What is the InChIKey of [5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine?
The InChIKey is ANYIVGTUXFZDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-8(4-10)12-9(11-6)7-2-3-13-5-7/h7H,2-5,10H2,1H3,(H,11,12).
What are the key properties of [5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine?
[5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(oxolan-3-yl)-1H-imidazol-4-yl]methanamine is sourced from PubChem (CID 115015957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).