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

C11H19N3O — CID 79365081

IUPACN-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine
SMILESCNCC1CCCOC1c1cncn1C
InChIInChI=1S/C11H19N3O/c1-12-6-9-4-3-5-15-11(9)10-7-13-8-14(10)2/h7-9,11-12H,3-6H2,1-2H3
InChIKeyABFMTTPSRCMFLR-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.11
Rot. Bonds3

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

N-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine (PubChem CID 79365081) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine
PubChem CID79365081
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine
SMILESCNCC1CCCOC1c1cncn1C
InChIInChI=1S/C11H19N3O/c1-12-6-9-4-3-5-15-11(9)10-7-13-8-14(10)2/h7-9,11-12H,3-6H2,1-2H3
InChIKeyABFMTTPSRCMFLR-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine (CID 79365081) is N-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine is CNCC1CCCOC1c1cncn1C.
What is the InChIKey of N-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine?
The InChIKey is ABFMTTPSRCMFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-12-6-9-4-3-5-15-11(9)10-7-13-8-14(10)2/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine?
N-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine is sourced from PubChem (CID 79365081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).