N-methyl-1-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]methanamine

C11H19N3O — CID 139570798

IUPACN-methyl-1-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]methanamine
SMILESCNCc1cnc(C2CCOCC2)n1C
InChIInChI=1S/C11H19N3O/c1-12-7-10-8-13-11(14(10)2)9-3-5-15-6-4-9/h8-9,12H,3-7H2,1-2H3
InChIKeyUUOVPVRHVGQCCW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.03
Rot. Bonds3

About N-methyl-1-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]methanamine

N-methyl-1-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]methanamine (PubChem CID 139570798) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]methanamine
PubChem CID139570798
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-methyl-1-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]methanamine
SMILESCNCc1cnc(C2CCOCC2)n1C
InChIInChI=1S/C11H19N3O/c1-12-7-10-8-13-11(14(10)2)9-3-5-15-6-4-9/h8-9,12H,3-7H2,1-2H3
InChIKeyUUOVPVRHVGQCCW-UHFFFAOYSA-N
XLogP1.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]methanamine (CID 139570798) is N-methyl-1-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]methanamine is CNCc1cnc(C2CCOCC2)n1C.
What is the InChIKey of N-methyl-1-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]methanamine?
The InChIKey is UUOVPVRHVGQCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-12-7-10-8-13-11(14(10)2)9-3-5-15-6-4-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]methanamine?
N-methyl-1-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]methanamine is sourced from PubChem (CID 139570798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).