N,N-diethyl-3-hydroxybenzenecarboximidamide

C11H16N2O — CID 107922201

IUPACN,N-diethyl-3-hydroxybenzenecarboximidamide
SMILES[H]/N=C(/c1cccc(O)c1)N(CC)CC
InChIInChI=1S/C11H16N2O/c1-3-13(4-2)11(12)9-6-5-7-10(14)8-9/h5-8,12,14H,3-4H2,1-2H3/b12-11-
InChIKeyAKLRYBOSLKRPLA-QXMHVHEDSA-N
MW192.26 g/mol
LogP2.06
Rot. Bonds3

About N,N-diethyl-3-hydroxybenzenecarboximidamide

N,N-diethyl-3-hydroxybenzenecarboximidamide (PubChem CID 107922201) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N,N-diethyl-3-hydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN,N-diethyl-3-hydroxybenzenecarboximidamide
PubChem CID107922201
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN,N-diethyl-3-hydroxybenzenecarboximidamide
SMILES[H]/N=C(/c1cccc(O)c1)N(CC)CC
InChIInChI=1S/C11H16N2O/c1-3-13(4-2)11(12)9-6-5-7-10(14)8-9/h5-8,12,14H,3-4H2,1-2H3/b12-11-
InChIKeyAKLRYBOSLKRPLA-QXMHVHEDSA-N
XLogP2.06
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-hydroxybenzenecarboximidamide?
The IUPAC name of N,N-diethyl-3-hydroxybenzenecarboximidamide (CID 107922201) is N,N-diethyl-3-hydroxybenzenecarboximidamide.
What is the SMILES notation for N,N-diethyl-3-hydroxybenzenecarboximidamide?
The canonical SMILES for N,N-diethyl-3-hydroxybenzenecarboximidamide is [H]/N=C(/c1cccc(O)c1)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-hydroxybenzenecarboximidamide?
The InChIKey is AKLRYBOSLKRPLA-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-13(4-2)11(12)9-6-5-7-10(14)8-9/h5-8,12,14H,3-4H2,1-2H3/b12-11-.
What are the key properties of N,N-diethyl-3-hydroxybenzenecarboximidamide?
N,N-diethyl-3-hydroxybenzenecarboximidamide has a molecular weight of 192.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107922201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).