N-methyl-2-(1-methylimidazol-4-yl)oxan-4-amine

C10H17N3O — CID 130599151

IUPACN-methyl-2-(1-methylimidazol-4-yl)oxan-4-amine
SMILESCNC1CCOC(c2cn(C)cn2)C1
InChIInChI=1S/C10H17N3O/c1-11-8-3-4-14-10(5-8)9-6-13(2)7-12-9/h6-8,10-11H,3-5H2,1-2H3
InChIKeyMDUWIIROEXLXGU-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.86
Rot. Bonds2

About N-methyl-2-(1-methylimidazol-4-yl)oxan-4-amine

N-methyl-2-(1-methylimidazol-4-yl)oxan-4-amine (PubChem CID 130599151) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-methyl-2-(1-methylimidazol-4-yl)oxan-4-amine.

Molecular Properties

Compound NameN-methyl-2-(1-methylimidazol-4-yl)oxan-4-amine
PubChem CID130599151
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-methyl-2-(1-methylimidazol-4-yl)oxan-4-amine
SMILESCNC1CCOC(c2cn(C)cn2)C1
InChIInChI=1S/C10H17N3O/c1-11-8-3-4-14-10(5-8)9-6-13(2)7-12-9/h6-8,10-11H,3-5H2,1-2H3
InChIKeyMDUWIIROEXLXGU-UHFFFAOYSA-N
XLogP0.86
TPSA39.08 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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylimidazol-4-yl)oxan-4-amine?
The IUPAC name of N-methyl-2-(1-methylimidazol-4-yl)oxan-4-amine (CID 130599151) is N-methyl-2-(1-methylimidazol-4-yl)oxan-4-amine.
What is the SMILES notation for N-methyl-2-(1-methylimidazol-4-yl)oxan-4-amine?
The canonical SMILES for N-methyl-2-(1-methylimidazol-4-yl)oxan-4-amine is CNC1CCOC(c2cn(C)cn2)C1.
What is the InChIKey of N-methyl-2-(1-methylimidazol-4-yl)oxan-4-amine?
The InChIKey is MDUWIIROEXLXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-11-8-3-4-14-10(5-8)9-6-13(2)7-12-9/h6-8,10-11H,3-5H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylimidazol-4-yl)oxan-4-amine?
N-methyl-2-(1-methylimidazol-4-yl)oxan-4-amine has a molecular weight of 195.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylimidazol-4-yl)oxan-4-amine is sourced from PubChem (CID 130599151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).