4-[ethyl(methyl)amino]benzenecarboximidamide

C10H15N3 — CID 43263484

IUPAC4-[ethyl(methyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC)cc1
InChIInChI=1S/C10H15N3/c1-3-13(2)9-6-4-8(5-7-9)10(11)12/h4-7H,3H2,1-2H3,(H3,11,12)
InChIKeyAASPYQTZAUYOJL-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.43
Rot. Bonds3

About 4-[ethyl(methyl)amino]benzenecarboximidamide

4-[ethyl(methyl)amino]benzenecarboximidamide (PubChem CID 43263484) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]benzenecarboximidamide
PubChem CID43263484
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name4-[ethyl(methyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC)cc1
InChIInChI=1S/C10H15N3/c1-3-13(2)9-6-4-8(5-7-9)10(11)12/h4-7H,3H2,1-2H3,(H3,11,12)
InChIKeyAASPYQTZAUYOJL-UHFFFAOYSA-N
XLogP1.43
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.43
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 4-[ethyl(methyl)amino]benzenecarboximidamide?
The IUPAC name of 4-[ethyl(methyl)amino]benzenecarboximidamide (CID 43263484) is 4-[ethyl(methyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-[ethyl(methyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-[ethyl(methyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)CC)cc1.
What is the InChIKey of 4-[ethyl(methyl)amino]benzenecarboximidamide?
The InChIKey is AASPYQTZAUYOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-13(2)9-6-4-8(5-7-9)10(11)12/h4-7H,3H2,1-2H3,(H3,11,12).
What are the key properties of 4-[ethyl(methyl)amino]benzenecarboximidamide?
4-[ethyl(methyl)amino]benzenecarboximidamide has a molecular weight of 177.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]benzenecarboximidamide is sourced from PubChem (CID 43263484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).