4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide

C13H20N2O2 — CID 89113398

IUPAC4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCCC)c(OCCO)c1
InChIInChI=1S/C13H20N2O2/c1-2-3-4-10-5-6-11(13(14)15)9-12(10)17-8-7-16/h5-6,9,16H,2-4,7-8H2,1H3,(H3,14,15)
InChIKeyKXQLNGXQDIEPKX-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.68
Rot. Bonds7

About 4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide

4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide (PubChem CID 89113398) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide
PubChem CID89113398
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCCC)c(OCCO)c1
InChIInChI=1S/C13H20N2O2/c1-2-3-4-10-5-6-11(13(14)15)9-12(10)17-8-7-16/h5-6,9,16H,2-4,7-8H2,1H3,(H3,14,15)
InChIKeyKXQLNGXQDIEPKX-UHFFFAOYSA-N
XLogP1.68
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.68
H-Bond Donors ≤ 53
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-butoxy-3-methylbenzenecarboximidamide
CID 60929965
3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016
4-butoxybenzenecarboximidamide
CID 3015454
2-(4-amino-2-butylphenoxy)ethanol
CID 142157339
4-octoxybenzenecarboximidamide
CID 3302492
4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide
CID 142802540
2-[5-carbamimidoyl-2-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 143196886
4-(2-butoxyethoxymethyl)-3-chlorobenzenecarboximidamide
CID 102668129
4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide
CID 81106848
3-bromo-4-(4-methylpentoxy)benzenecarboximidamide
CID 82799328
4-[[3-butyl-5-[(4-carbamimidoylphenyl)methoxy]phenoxy]methyl]benzenecarboximidamide;methane
CID 160987111
2-(2-dodecylphenoxy)ethanol
CID 14475097

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide?
The IUPAC name of 4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide (CID 89113398) is 4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide.
What is the SMILES notation for 4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide?
The canonical SMILES for 4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(CCCC)c(OCCO)c1.
What is the InChIKey of 4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide?
The InChIKey is KXQLNGXQDIEPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-3-4-10-5-6-11(13(14)15)9-12(10)17-8-7-16/h5-6,9,16H,2-4,7-8H2,1H3,(H3,14,15).
What are the key properties of 4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide?
4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide has a molecular weight of 236.31 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide is sourced from PubChem (CID 89113398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).