1-[(3-methoxyoxolan-3-yl)methyl]-N,4-dimethylimidazol-2-amine

C11H19N3O2 — CID 106581479

IUPAC1-[(3-methoxyoxolan-3-yl)methyl]-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1CC1(OC)CCOC1
InChIInChI=1S/C11H19N3O2/c1-9-6-14(10(12-2)13-9)7-11(15-3)4-5-16-8-11/h6H,4-5,7-8H2,1-3H3,(H,12,13)
InChIKeyQXWCLVVJTIXQBJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.04
Rot. Bonds4

About 1-[(3-methoxyoxolan-3-yl)methyl]-N,4-dimethylimidazol-2-amine

1-[(3-methoxyoxolan-3-yl)methyl]-N,4-dimethylimidazol-2-amine (PubChem CID 106581479) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[(3-methoxyoxolan-3-yl)methyl]-N,4-dimethylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-methoxyoxolan-3-yl)methyl]-N,4-dimethylimidazol-2-amine
PubChem CID106581479
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[(3-methoxyoxolan-3-yl)methyl]-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1CC1(OC)CCOC1
InChIInChI=1S/C11H19N3O2/c1-9-6-14(10(12-2)13-9)7-11(15-3)4-5-16-8-11/h6H,4-5,7-8H2,1-3H3,(H,12,13)
InChIKeyQXWCLVVJTIXQBJ-UHFFFAOYSA-N
XLogP1.04
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
CID 106581524
1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
CID 106581481
1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
CID 106581506
1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine
CID 104762687
1-[(3-methoxyoxolan-3-yl)methyl]-2-methylbenzimidazol-5-amine
CID 104765910
2-amino-2-[3-[(3-methoxyoxolan-3-yl)methyl]imidazol-4-yl]ethanol
CID 114707610
1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine
CID 106580024
5-bromo-1-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-triazol-3-amine
CID 165472601
2-[1-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 113450461
1-[(3-methoxyoxolan-3-yl)methyl]-2,5-dimethylpyrrole-3-carbaldehyde
CID 104761901
4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 104767329
1-[(3-methoxyoxolan-3-yl)methyl]-N,2,3-trimethylpiperidin-4-amine
CID 104761957

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-N,4-dimethylimidazol-2-amine?
The IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-N,4-dimethylimidazol-2-amine (CID 106581479) is 1-[(3-methoxyoxolan-3-yl)methyl]-N,4-dimethylimidazol-2-amine.
What is the SMILES notation for 1-[(3-methoxyoxolan-3-yl)methyl]-N,4-dimethylimidazol-2-amine?
The canonical SMILES for 1-[(3-methoxyoxolan-3-yl)methyl]-N,4-dimethylimidazol-2-amine is CNc1nc(C)cn1CC1(OC)CCOC1.
What is the InChIKey of 1-[(3-methoxyoxolan-3-yl)methyl]-N,4-dimethylimidazol-2-amine?
The InChIKey is QXWCLVVJTIXQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9-6-14(10(12-2)13-9)7-11(15-3)4-5-16-8-11/h6H,4-5,7-8H2,1-3H3,(H,12,13).
What are the key properties of 1-[(3-methoxyoxolan-3-yl)methyl]-N,4-dimethylimidazol-2-amine?
1-[(3-methoxyoxolan-3-yl)methyl]-N,4-dimethylimidazol-2-amine has a molecular weight of 225.29 g/mol, XLogP of 1.04, 4 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]-N,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106581479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).