2-[4-(aminomethyl)phenyl]-1,1,3,3-tetramethylguanidine

C12H20N4 — CID 151544700

IUPAC2-[4-(aminomethyl)phenyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=Nc1ccc(CN)cc1)N(C)C
InChIInChI=1S/C12H20N4/c1-15(2)12(16(3)4)14-11-7-5-10(9-13)6-8-11/h5-8H,9,13H2,1-4H3
InChIKeyPZEYSHZJBANNSC-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.26
Rot. Bonds2

About 2-[4-(aminomethyl)phenyl]-1,1,3,3-tetramethylguanidine

2-[4-(aminomethyl)phenyl]-1,1,3,3-tetramethylguanidine (PubChem CID 151544700) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-1,1,3,3-tetramethylguanidine
PubChem CID151544700
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-[4-(aminomethyl)phenyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=Nc1ccc(CN)cc1)N(C)C
InChIInChI=1S/C12H20N4/c1-15(2)12(16(3)4)14-11-7-5-10(9-13)6-8-11/h5-8H,9,13H2,1-4H3
InChIKeyPZEYSHZJBANNSC-UHFFFAOYSA-N
XLogP1.26
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[4-(aminomethyl)phenyl]-1,1,3,3-tetramethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-1,1,3,3-tetramethylguanidine (CID 151544700) is 2-[4-(aminomethyl)phenyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-1,1,3,3-tetramethylguanidine is CN(C)C(=Nc1ccc(CN)cc1)N(C)C.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is PZEYSHZJBANNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-15(2)12(16(3)4)14-11-7-5-10(9-13)6-8-11/h5-8H,9,13H2,1-4H3.
What are the key properties of 2-[4-(aminomethyl)phenyl]-1,1,3,3-tetramethylguanidine?
2-[4-(aminomethyl)phenyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 220.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 151544700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).