(2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine

C10H17N3O — CID 130518971

IUPAC(2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine
SMILESCc1ncc(C(N)C2CCOC2)n1C
InChIInChI=1S/C10H17N3O/c1-7-12-5-9(13(7)2)10(11)8-3-4-14-6-8/h5,8,10H,3-4,6,11H2,1-2H3
InChIKeyZZPJJEAEIKZEEW-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.76
Rot. Bonds2

About (2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine

(2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine (PubChem CID 130518971) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine
PubChem CID130518971
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine
SMILESCc1ncc(C(N)C2CCOC2)n1C
InChIInChI=1S/C10H17N3O/c1-7-12-5-9(13(7)2)10(11)8-3-4-14-6-8/h5,8,10H,3-4,6,11H2,1-2H3
InChIKeyZZPJJEAEIKZEEW-UHFFFAOYSA-N
XLogP0.76
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717533
(2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine
CID 65330620
[3-(4-chloro-2-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717621
(5-methyl-1H-imidazol-2-yl)-(oxolan-3-yl)methanamine
CID 102970245
[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716228
[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717791
[3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716207
[3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 107649077
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-4-methylbenzonitrile
CID 114719865
4-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-3-bromobenzonitrile
CID 107795830
[3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717319
[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 102909124

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine?
The IUPAC name of (2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine (CID 130518971) is (2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine is Cc1ncc(C(N)C2CCOC2)n1C.
What is the InChIKey of (2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine?
The InChIKey is ZZPJJEAEIKZEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-12-5-9(13(7)2)10(11)8-3-4-14-6-8/h5,8,10H,3-4,6,11H2,1-2H3.
What are the key properties of (2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine?
(2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine has a molecular weight of 195.27 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 130518971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).