4-butoxy-3-methylbenzenecarboximidamide

C12H18N2O — CID 60929965

IUPAC4-butoxy-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCC)c(C)c1
InChIInChI=1S/C12H18N2O/c1-3-4-7-15-11-6-5-10(12(13)14)8-9(11)2/h5-6,8H,3-4,7H2,1-2H3,(H3,13,14)
InChIKeyNCLGMLIFKIPFPZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.46
Rot. Bonds5

About 4-butoxy-3-methylbenzenecarboximidamide

4-butoxy-3-methylbenzenecarboximidamide (PubChem CID 60929965) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-butoxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-butoxy-3-methylbenzenecarboximidamide
PubChem CID60929965
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-butoxy-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCC)c(C)c1
InChIInChI=1S/C12H18N2O/c1-3-4-7-15-11-6-5-10(12(13)14)8-9(11)2/h5-6,8H,3-4,7H2,1-2H3,(H3,13,14)
InChIKeyNCLGMLIFKIPFPZ-UHFFFAOYSA-N
XLogP2.46
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide
CID 142802540
4-[3-(dimethylamino)propoxy]-3-methylbenzenecarboximidamide
CID 61103074
4-butoxybenzenecarboximidamide
CID 3015454
3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016
3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 60929232
4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide
CID 89113398
3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 54966518
3-methyl-4-propan-2-yloxybenzenecarboximidamide
CID 60929364
4-octoxybenzenecarboximidamide
CID 3302492
3-bromo-4-[3-(2-bromo-4-ethanimidoylphenoxy)propoxy]benzenecarboximidamide
CID 149249864
3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide
CID 107912552
4-[(4-chloro-2-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483691

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methylbenzenecarboximidamide?
The IUPAC name of 4-butoxy-3-methylbenzenecarboximidamide (CID 60929965) is 4-butoxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-butoxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-butoxy-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCCC)c(C)c1.
What is the InChIKey of 4-butoxy-3-methylbenzenecarboximidamide?
The InChIKey is NCLGMLIFKIPFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-4-7-15-11-6-5-10(12(13)14)8-9(11)2/h5-6,8H,3-4,7H2,1-2H3,(H3,13,14).
What are the key properties of 4-butoxy-3-methylbenzenecarboximidamide?
4-butoxy-3-methylbenzenecarboximidamide has a molecular weight of 206.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 60929965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).