1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine

C10H17N3O2 — CID 106581524

IUPAC1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
SMILESCOC1(Cn2cc(C)nc2N)CCOC1
InChIInChI=1S/C10H17N3O2/c1-8-5-13(9(11)12-8)6-10(14-2)3-4-15-7-10/h5H,3-4,6-7H2,1-2H3,(H2,11,12)
InChIKeyPFIFUFGSAZCCFI-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.58
Rot. Bonds3

About 1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine

1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine (PubChem CID 106581524) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
PubChem CID106581524
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
SMILESCOC1(Cn2cc(C)nc2N)CCOC1
InChIInChI=1S/C10H17N3O2/c1-8-5-13(9(11)12-8)6-10(14-2)3-4-15-7-10/h5H,3-4,6-7H2,1-2H3,(H2,11,12)
InChIKeyPFIFUFGSAZCCFI-UHFFFAOYSA-N
XLogP0.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methoxyoxolan-3-yl)methyl]-N,4-dimethylimidazol-2-amine
CID 106581479
1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
CID 106581481
1-[(3-methoxyoxolan-3-yl)methyl]-2-methylbenzimidazol-5-amine
CID 104765910
5-bromo-1-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-triazol-3-amine
CID 165472601
2-amino-2-[3-[(3-methoxyoxolan-3-yl)methyl]imidazol-4-yl]ethanol
CID 114707610
1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
CID 106581506
4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline
CID 104765237
3-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline
CID 104765247
4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline
CID 104765216
5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline
CID 104765217
4-methyl-1-(oxan-4-ylmethyl)imidazol-2-amine
CID 106572445
2-[1-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 113450461

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine (CID 106581524) is 1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine is COC1(Cn2cc(C)nc2N)CCOC1.
What is the InChIKey of 1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine?
The InChIKey is PFIFUFGSAZCCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-5-13(9(11)12-8)6-10(14-2)3-4-15-7-10/h5H,3-4,6-7H2,1-2H3,(H2,11,12).
What are the key properties of 1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine?
1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine has a molecular weight of 211.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106581524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).