4-butoxybenzenecarboximidamide

C11H16N2O — CID 3015454

IUPAC4-butoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCC)cc1
InChIInChI=1S/C11H16N2O/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H3,12,13)
InChIKeySQOXELSMFMHGED-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.15
Rot. Bonds5

About 4-butoxybenzenecarboximidamide

4-butoxybenzenecarboximidamide (PubChem CID 3015454) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-butoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-butoxybenzenecarboximidamide
PubChem CID3015454
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-butoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCC)cc1
InChIInChI=1S/C11H16N2O/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H3,12,13)
InChIKeySQOXELSMFMHGED-UHFFFAOYSA-N
XLogP2.15
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.15
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-octoxybenzenecarboximidamide
CID 3302492
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
ethyl 4-(4-carbamimidoylphenoxy)butanoate
CID 23371394
[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium
CID 24848374
molecular hydrogen;4-[6-(4-prop-1-en-2-ylphenoxy)hexoxy]benzenecarboximidamide
CID 158279595
4-[2-[bis[2-(4-carbamimidoylphenoxy)ethyl]amino]ethoxy]benzenecarboximidamide
CID 139715205
3-butoxy-5-methoxybenzenecarboximidamide
CID 103567679
4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride
CID 82240588

Frequently Asked Questions

What is the IUPAC name of 4-butoxybenzenecarboximidamide?
The IUPAC name of 4-butoxybenzenecarboximidamide (CID 3015454) is 4-butoxybenzenecarboximidamide.
What is the SMILES notation for 4-butoxybenzenecarboximidamide?
The canonical SMILES for 4-butoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCCC)cc1.
What is the InChIKey of 4-butoxybenzenecarboximidamide?
The InChIKey is SQOXELSMFMHGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H3,12,13).
What are the key properties of 4-butoxybenzenecarboximidamide?
4-butoxybenzenecarboximidamide has a molecular weight of 192.26 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxybenzenecarboximidamide is sourced from PubChem (CID 3015454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).