N'-[2-(methylamino)ethyl]benzenecarboximidamide

C10H15N3 — CID 89222579

IUPACN'-[2-(methylamino)ethyl]benzenecarboximidamide
SMILESCNCC/N=C(\N)c1ccccc1
InChIInChI=1S/C10H15N3/c1-12-7-8-13-10(11)9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3,(H2,11,13)
InChIKeyPAVCASSBJRIUNE-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.61
Rot. Bonds4

About N'-[2-(methylamino)ethyl]benzenecarboximidamide

N'-[2-(methylamino)ethyl]benzenecarboximidamide (PubChem CID 89222579) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N'-[2-(methylamino)ethyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[2-(methylamino)ethyl]benzenecarboximidamide
PubChem CID89222579
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN'-[2-(methylamino)ethyl]benzenecarboximidamide
SMILESCNCC/N=C(\N)c1ccccc1
InChIInChI=1S/C10H15N3/c1-12-7-8-13-10(11)9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3,(H2,11,13)
InChIKeyPAVCASSBJRIUNE-UHFFFAOYSA-N
XLogP0.61
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.61
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(methylamino)ethyl]benzenecarboximidamide?
The IUPAC name of N'-[2-(methylamino)ethyl]benzenecarboximidamide (CID 89222579) is N'-[2-(methylamino)ethyl]benzenecarboximidamide.
What is the SMILES notation for N'-[2-(methylamino)ethyl]benzenecarboximidamide?
The canonical SMILES for N'-[2-(methylamino)ethyl]benzenecarboximidamide is CNCC/N=C(\N)c1ccccc1.
What is the InChIKey of N'-[2-(methylamino)ethyl]benzenecarboximidamide?
The InChIKey is PAVCASSBJRIUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-12-7-8-13-10(11)9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3,(H2,11,13).
What are the key properties of N'-[2-(methylamino)ethyl]benzenecarboximidamide?
N'-[2-(methylamino)ethyl]benzenecarboximidamide has a molecular weight of 177.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(methylamino)ethyl]benzenecarboximidamide is sourced from PubChem (CID 89222579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).