N-methyl-2-(3-methylimidazol-4-yl)oxan-4-amine

C10H17N3O — CID 66117150

IUPACN-methyl-2-(3-methylimidazol-4-yl)oxan-4-amine
SMILESCNC1CCOC(c2cncn2C)C1
InChIInChI=1S/C10H17N3O/c1-11-8-3-4-14-10(5-8)9-6-12-7-13(9)2/h6-8,10-11H,3-5H2,1-2H3
InChIKeyQEYJLEHZVBVFKF-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.86
Rot. Bonds2

About N-methyl-2-(3-methylimidazol-4-yl)oxan-4-amine

N-methyl-2-(3-methylimidazol-4-yl)oxan-4-amine (PubChem CID 66117150) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-methyl-2-(3-methylimidazol-4-yl)oxan-4-amine.

Molecular Properties

Compound NameN-methyl-2-(3-methylimidazol-4-yl)oxan-4-amine
PubChem CID66117150
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-methyl-2-(3-methylimidazol-4-yl)oxan-4-amine
SMILESCNC1CCOC(c2cncn2C)C1
InChIInChI=1S/C10H17N3O/c1-11-8-3-4-14-10(5-8)9-6-12-7-13(9)2/h6-8,10-11H,3-5H2,1-2H3
InChIKeyQEYJLEHZVBVFKF-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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Related Compounds

Guanidine, N-cyano-N''-methyl-N'-[[(2R,5R)-tetrahydro-5-(1H-imidazol-5-yl)-2-furanyl]methyl]-, rel-
CID 10106063
Imifuramine
CID 10197870
1-cyano-3-[[(2S,5R)-5-(1H-imidazol-5-yl)oxolan-2-yl]methyl]-2-methylguanidine
CID 10037650
[(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine
CID 10419556
[(2S,5R)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine
CID 10583206
[(2S,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine
CID 10678661
1-cyano-3-[[(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methyl]-2-methylguanidine
CID 11086114
2-(1-methyl-1H-imidazol-4-yl)morpholine
CID 82597427
1-cyano-3-[[(2S,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methyl]-2-methylguanidine
CID 10879463
2-(1-methyl-1H-imidazol-5-yl)oxan-4-amine dihydrochloride
CID 91643431
1-Cyano-2-{[5-(1H-imidazol-4-yl)tetrahydro-2-furanyl]methyl}-3-methylguanidine
CID 49824228
[2-Amino-1-(1-ethylimidazol-4-yl)butyl] 2,2,2-trifluoroacetate
CID 174445304

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylimidazol-4-yl)oxan-4-amine?
The IUPAC name of N-methyl-2-(3-methylimidazol-4-yl)oxan-4-amine (CID 66117150) is N-methyl-2-(3-methylimidazol-4-yl)oxan-4-amine.
What is the SMILES notation for N-methyl-2-(3-methylimidazol-4-yl)oxan-4-amine?
The canonical SMILES for N-methyl-2-(3-methylimidazol-4-yl)oxan-4-amine is CNC1CCOC(c2cncn2C)C1.
What is the InChIKey of N-methyl-2-(3-methylimidazol-4-yl)oxan-4-amine?
The InChIKey is QEYJLEHZVBVFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-11-8-3-4-14-10(5-8)9-6-12-7-13(9)2/h6-8,10-11H,3-5H2,1-2H3.
What are the key properties of N-methyl-2-(3-methylimidazol-4-yl)oxan-4-amine?
N-methyl-2-(3-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-(3-methylimidazol-4-yl)oxan-4-amine is sourced from PubChem (CID 66117150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).