4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide

C13H20N2O — CID 65470800

IUPAC4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)c(OC(C)CC)c(C)c1
InChIInChI=1S/C13H20N2O/c1-5-10(4)16-12-8(2)6-11(13(14)15)7-9(12)3/h6-7,10H,5H2,1-4H3,(H3,14,15)
InChIKeyOVEGQTXJCXZXBX-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.76
Rot. Bonds4

About 4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide

4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide (PubChem CID 65470800) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide
PubChem CID65470800
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)c(OC(C)CC)c(C)c1
InChIInChI=1S/C13H20N2O/c1-5-10(4)16-12-8(2)6-11(13(14)15)7-9(12)3/h6-7,10H,5H2,1-4H3,(H3,14,15)
InChIKeyOVEGQTXJCXZXBX-UHFFFAOYSA-N
XLogP2.76
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.76
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

3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
CID 65471181
3-butan-2-yloxybenzenecarboximidamide
CID 42656931
3-methyl-4-propan-2-yloxybenzenecarboximidamide
CID 60929364
4-[butan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 60929832
3,5-dimethyl-4-(2-methylsulfonylethoxy)benzenecarboximidamide
CID 65471366
3-methoxy-5-pentan-2-yloxybenzenecarboximidamide
CID 107892959
2-butan-2-yloxy-4-chlorobenzenecarboximidamide
CID 63094735
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 65476998
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide
CID 65470611
4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide
CID 114208390
4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 65472321

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide?
The IUPAC name of 4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide (CID 65470800) is 4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide.
What is the SMILES notation for 4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide?
The canonical SMILES for 4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)c(OC(C)CC)c(C)c1.
What is the InChIKey of 4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide?
The InChIKey is OVEGQTXJCXZXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-10(4)16-12-8(2)6-11(13(14)15)7-9(12)3/h6-7,10H,5H2,1-4H3,(H3,14,15).
What are the key properties of 4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide?
4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide has a molecular weight of 220.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-3,5-dimethylbenzenecarboximidamide is sourced from PubChem (CID 65470800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).