1,1-bis(2-propan-2-ylphenyl)guanidine

C19H25N3 — CID 19776973

IUPAC1,1-bis(2-propan-2-ylphenyl)guanidine
SMILES[H]/N=C(\N)N(c1ccccc1C(C)C)c1ccccc1C(C)C
InChIInChI=1S/C19H25N3/c1-13(2)15-9-5-7-11-17(15)22(19(20)21)18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3,(H3,20,21)
InChIKeySTPKRMIHCSNGSB-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.96
Rot. Bonds4

About 1,1-bis(2-propan-2-ylphenyl)guanidine

1,1-bis(2-propan-2-ylphenyl)guanidine (PubChem CID 19776973) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1,1-bis(2-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name1,1-bis(2-propan-2-ylphenyl)guanidine
PubChem CID19776973
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name1,1-bis(2-propan-2-ylphenyl)guanidine
SMILES[H]/N=C(\N)N(c1ccccc1C(C)C)c1ccccc1C(C)C
InChIInChI=1S/C19H25N3/c1-13(2)15-9-5-7-11-17(15)22(19(20)21)18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3,(H3,20,21)
InChIKeySTPKRMIHCSNGSB-UHFFFAOYSA-N
XLogP4.96
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-bis(2-propan-2-ylphenyl)guanidine 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 1,1-bis(2-propan-2-ylphenyl)guanidine?
The IUPAC name of 1,1-bis(2-propan-2-ylphenyl)guanidine (CID 19776973) is 1,1-bis(2-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 1,1-bis(2-propan-2-ylphenyl)guanidine?
The canonical SMILES for 1,1-bis(2-propan-2-ylphenyl)guanidine is [H]/N=C(\N)N(c1ccccc1C(C)C)c1ccccc1C(C)C.
What is the InChIKey of 1,1-bis(2-propan-2-ylphenyl)guanidine?
The InChIKey is STPKRMIHCSNGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-13(2)15-9-5-7-11-17(15)22(19(20)21)18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3,(H3,20,21).
What are the key properties of 1,1-bis(2-propan-2-ylphenyl)guanidine?
1,1-bis(2-propan-2-ylphenyl)guanidine has a molecular weight of 295.43 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 19776973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).