1-[1,5-dimethyl-2-(oxan-4-yl)imidazol-4-yl]-N-methylmethanimine

C12H19N3O — CID 123163605

IUPAC1-[1,5-dimethyl-2-(oxan-4-yl)imidazol-4-yl]-N-methylmethanimine
SMILESC/N=C/c1nc(C2CCOCC2)n(C)c1C
InChIInChI=1S/C12H19N3O/c1-9-11(8-13-2)14-12(15(9)3)10-4-6-16-7-5-10/h8,10H,4-7H2,1-3H3/b13-8+
InChIKeyOEWFDNSIWDGCBG-MDWZMJQESA-N
MW221.30 g/mol
LogP1.67
Rot. Bonds2

About 1-[1,5-dimethyl-2-(oxan-4-yl)imidazol-4-yl]-N-methylmethanimine

1-[1,5-dimethyl-2-(oxan-4-yl)imidazol-4-yl]-N-methylmethanimine (PubChem CID 123163605) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[1,5-dimethyl-2-(oxan-4-yl)imidazol-4-yl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[1,5-dimethyl-2-(oxan-4-yl)imidazol-4-yl]-N-methylmethanimine
PubChem CID123163605
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[1,5-dimethyl-2-(oxan-4-yl)imidazol-4-yl]-N-methylmethanimine
SMILESC/N=C/c1nc(C2CCOCC2)n(C)c1C
InChIInChI=1S/C12H19N3O/c1-9-11(8-13-2)14-12(15(9)3)10-4-6-16-7-5-10/h8,10H,4-7H2,1-3H3/b13-8+
InChIKeyOEWFDNSIWDGCBG-MDWZMJQESA-N
XLogP1.67
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]ethan-1-amine
CID 91911584
2,2-diethyl-4-[(1,4,5-trimethyl-1H-imidazol-2-yl)methyl]morpholine
CID 129620641
4,5-Dimethyl-1-[2-(oxan-4-yl)ethyl]imidazole
CID 137955691
methyl 2-(tetrahydro-2H-pyran-4-yl)-4-(trifluoromethyl)-1H-imidazole
CID 118956042
1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole
CID 144950624
1-(4-Ethoxybutyl)-4,5-dimethylimidazole
CID 53648324
1-(4-Methoxybutyl)-4,5-dimethylimidazole
CID 54103247
O-[2,2-dimethyl-4-(2,4,5-trimethylimidazol-1-yl)pentyl]hydroxylamine
CID 54167361
4-Methyl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine
CID 68261245
1-(4-Methoxybutyl)-2,3,4,5-tetramethylimidazol-3-ium
CID 121299473
1,5-Dimethyl-2-(oxan-4-yl)imidazole
CID 123851428
1-Ethyl-5-methyl-2-(oxan-4-yl)imidazole
CID 130382152

Frequently Asked Questions

What is the IUPAC name of 1-[1,5-dimethyl-2-(oxan-4-yl)imidazol-4-yl]-N-methylmethanimine?
The IUPAC name of 1-[1,5-dimethyl-2-(oxan-4-yl)imidazol-4-yl]-N-methylmethanimine (CID 123163605) is 1-[1,5-dimethyl-2-(oxan-4-yl)imidazol-4-yl]-N-methylmethanimine.
What is the SMILES notation for 1-[1,5-dimethyl-2-(oxan-4-yl)imidazol-4-yl]-N-methylmethanimine?
The canonical SMILES for 1-[1,5-dimethyl-2-(oxan-4-yl)imidazol-4-yl]-N-methylmethanimine is C/N=C/c1nc(C2CCOCC2)n(C)c1C.
What is the InChIKey of 1-[1,5-dimethyl-2-(oxan-4-yl)imidazol-4-yl]-N-methylmethanimine?
The InChIKey is OEWFDNSIWDGCBG-MDWZMJQESA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-11(8-13-2)14-12(15(9)3)10-4-6-16-7-5-10/h8,10H,4-7H2,1-3H3/b13-8+.
What are the key properties of 1-[1,5-dimethyl-2-(oxan-4-yl)imidazol-4-yl]-N-methylmethanimine?
1-[1,5-dimethyl-2-(oxan-4-yl)imidazol-4-yl]-N-methylmethanimine has a molecular weight of 221.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,5-dimethyl-2-(oxan-4-yl)imidazol-4-yl]-N-methylmethanimine is sourced from PubChem (CID 123163605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).