4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide

C17H26N2O — CID 114483836

IUPAC4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COC2CCC(C)(C)CC2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-10-13(16(18)19)4-5-14(12)11-20-15-6-8-17(2,3)9-7-15/h4-5,10,15H,6-9,11H2,1-3H3,(H3,18,19)
InChIKeyWIQXHLMAKDMZGT-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.76
Rot. Bonds4

About 4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide

4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide (PubChem CID 114483836) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide
PubChem CID114483836
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COC2CCC(C)(C)CC2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-10-13(16(18)19)4-5-14(12)11-20-15-6-8-17(2,3)9-7-15/h4-5,10,15H,6-9,11H2,1-3H3,(H3,18,19)
InChIKeyWIQXHLMAKDMZGT-UHFFFAOYSA-N
XLogP3.76
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide
CID 114483792
4-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483806
4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483832
3-bromo-4-(4,4-dimethylcyclohexyl)oxybenzenecarboximidamide
CID 114341188
4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide
CID 114208390
4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483676
4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483679
4-[(2-chloro-5-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483760
3-methyl-4-(oxetan-3-ylsulfanylmethyl)benzenecarboximidamide
CID 114484205
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 107392935
4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483695

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide (CID 114483836) is 4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(COC2CCC(C)(C)CC2)c(C)c1.
What is the InChIKey of 4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide?
The InChIKey is WIQXHLMAKDMZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-10-13(16(18)19)4-5-14(12)11-20-15-6-8-17(2,3)9-7-15/h4-5,10,15H,6-9,11H2,1-3H3,(H3,18,19).
What are the key properties of 4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide?
4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide has a molecular weight of 274.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).