2-(4-aminoanilino)-1,1-dimethylguanidine

C9H15N5 — CID 54073540

IUPAC2-(4-aminoanilino)-1,1-dimethylguanidine
SMILESCN(C)C(N)=NNc1ccc(N)cc1
InChIInChI=1S/C9H15N5/c1-14(2)9(11)13-12-8-5-3-7(10)4-6-8/h3-6,12H,10H2,1-2H3,(H2,11,13)
InChIKeyMICXMCLVQLYUCS-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.47
Rot. Bonds2

About 2-(4-aminoanilino)-1,1-dimethylguanidine

2-(4-aminoanilino)-1,1-dimethylguanidine (PubChem CID 54073540) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(4-aminoanilino)-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-(4-aminoanilino)-1,1-dimethylguanidine
PubChem CID54073540
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name2-(4-aminoanilino)-1,1-dimethylguanidine
SMILESCN(C)C(N)=NNc1ccc(N)cc1
InChIInChI=1S/C9H15N5/c1-14(2)9(11)13-12-8-5-3-7(10)4-6-8/h3-6,12H,10H2,1-2H3,(H2,11,13)
InChIKeyMICXMCLVQLYUCS-UHFFFAOYSA-N
XLogP0.47
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoanilino)-1,1-dimethylguanidine?
The IUPAC name of 2-(4-aminoanilino)-1,1-dimethylguanidine (CID 54073540) is 2-(4-aminoanilino)-1,1-dimethylguanidine.
What is the SMILES notation for 2-(4-aminoanilino)-1,1-dimethylguanidine?
The canonical SMILES for 2-(4-aminoanilino)-1,1-dimethylguanidine is CN(C)C(N)=NNc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminoanilino)-1,1-dimethylguanidine?
The InChIKey is MICXMCLVQLYUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-14(2)9(11)13-12-8-5-3-7(10)4-6-8/h3-6,12H,10H2,1-2H3,(H2,11,13).
What are the key properties of 2-(4-aminoanilino)-1,1-dimethylguanidine?
2-(4-aminoanilino)-1,1-dimethylguanidine has a molecular weight of 193.25 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoanilino)-1,1-dimethylguanidine is sourced from PubChem (CID 54073540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).