4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide

C16H24N2O2 — CID 114483832

IUPAC4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COC2CC(C)OC(C)C2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-10-6-13(16(17)18)4-5-14(10)9-19-15-7-11(2)20-12(3)8-15/h4-6,11-12,15H,7-9H2,1-3H3,(H3,17,18)
InChIKeyJMMSHEWLKFJCPC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.75
Rot. Bonds4

About 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide

4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide (PubChem CID 114483832) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide
PubChem CID114483832
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COC2CC(C)OC(C)C2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-10-6-13(16(17)18)4-5-14(10)9-19-15-7-11(2)20-12(3)8-15/h4-6,11-12,15H,7-9H2,1-3H3,(H3,17,18)
InChIKeyJMMSHEWLKFJCPC-UHFFFAOYSA-N
XLogP2.75
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483806
4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483836
3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide
CID 114483792
[4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine
CID 114479437
4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide
CID 54933167
4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide
CID 114208390
4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483676
4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483679
3-methyl-4-(oxetan-3-ylsulfanylmethyl)benzenecarboximidamide
CID 114484205
4-[(3,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarbothioamide
CID 114482283
4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483459

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide (CID 114483832) is 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(COC2CC(C)OC(C)C2)c(C)c1.
What is the InChIKey of 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide?
The InChIKey is JMMSHEWLKFJCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-6-13(16(17)18)4-5-14(10)9-19-15-7-11(2)20-12(3)8-15/h4-6,11-12,15H,7-9H2,1-3H3,(H3,17,18).
What are the key properties of 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide?
4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide has a molecular weight of 276.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).