2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide

C13H20N2O2 — CID 103033946

IUPAC2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCCC(C)(C)OC
InChIInChI=1S/C13H20N2O2/c1-13(2,16-3)8-9-17-11-7-5-4-6-10(11)12(14)15/h4-7H,8-9H2,1-3H3,(H3,14,15)
InChIKeyXXBJKHLCHRNJBK-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.16
Rot. Bonds6

About 2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide

2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide (PubChem CID 103033946) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
PubChem CID103033946
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCCC(C)(C)OC
InChIInChI=1S/C13H20N2O2/c1-13(2,16-3)8-9-17-11-7-5-4-6-10(11)12(14)15/h4-7H,8-9H2,1-3H3,(H3,14,15)
InChIKeyXXBJKHLCHRNJBK-UHFFFAOYSA-N
XLogP2.16
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.16
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-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 106665854
3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033943
2-(4-methylpentoxy)benzenecarboximidamide
CID 29002875
2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684381
4-(3-methoxy-3-methylbutoxy)-2-(trifluoromethyl)benzenecarboximidamide
CID 106665829
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
2-prop-2-enoxybenzenecarboximidamide;hydrochloride
CID 22462384
2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253513
5-(2-carbamimidoylphenoxy)pentane-1-sulfonic acid
CID 141350454
2-(furan-2-ylmethoxy)benzenecarboximidamide
CID 28601541
3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 106665853
2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 24694243

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide?
The IUPAC name of 2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide (CID 103033946) is 2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide.
What is the SMILES notation for 2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide?
The canonical SMILES for 2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1OCCC(C)(C)OC.
What is the InChIKey of 2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide?
The InChIKey is XXBJKHLCHRNJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,16-3)8-9-17-11-7-5-4-6-10(11)12(14)15/h4-7H,8-9H2,1-3H3,(H3,14,15).
What are the key properties of 2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide?
2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide has a molecular weight of 236.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide is sourced from PubChem (CID 103033946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).