2-[2-(N-methylanilino)ethyl]guanidine

C10H16N4 — CID 24471

IUPAC2-[2-(N-methylanilino)ethyl]guanidine
SMILESCN(CCN=C(N)N)c1ccccc1
InChIInChI=1S/C10H16N4/c1-14(8-7-13-10(11)12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H4,11,12,13)
InChIKeyNNOWKRZSPSNRCP-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.40
Rot. Bonds4

About 2-[2-(N-methylanilino)ethyl]guanidine

2-[2-(N-methylanilino)ethyl]guanidine (PubChem CID 24471) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-[2-(N-methylanilino)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(N-methylanilino)ethyl]guanidine
PubChem CID24471
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-[2-(N-methylanilino)ethyl]guanidine
SMILESCN(CCN=C(N)N)c1ccccc1
InChIInChI=1S/C10H16N4/c1-14(8-7-13-10(11)12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H4,11,12,13)
InChIKeyNNOWKRZSPSNRCP-UHFFFAOYSA-N
XLogP0.40
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.40
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 2-[2-(N-methylanilino)ethyl]guanidine?
The IUPAC name of 2-[2-(N-methylanilino)ethyl]guanidine (CID 24471) is 2-[2-(N-methylanilino)ethyl]guanidine.
What is the SMILES notation for 2-[2-(N-methylanilino)ethyl]guanidine?
The canonical SMILES for 2-[2-(N-methylanilino)ethyl]guanidine is CN(CCN=C(N)N)c1ccccc1.
What is the InChIKey of 2-[2-(N-methylanilino)ethyl]guanidine?
The InChIKey is NNOWKRZSPSNRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-14(8-7-13-10(11)12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H4,11,12,13).
What are the key properties of 2-[2-(N-methylanilino)ethyl]guanidine?
2-[2-(N-methylanilino)ethyl]guanidine has a molecular weight of 192.27 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-methylanilino)ethyl]guanidine is sourced from PubChem (CID 24471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).