2-tert-butyl-1-(4-propylphenyl)guanidine

C14H23N3 — CID 62378915

IUPAC2-tert-butyl-1-(4-propylphenyl)guanidine
SMILESCCCc1ccc(N/C(N)=N/C(C)(C)C)cc1
InChIInChI=1S/C14H23N3/c1-5-6-11-7-9-12(10-8-11)16-13(15)17-14(2,3)4/h7-10H,5-6H2,1-4H3,(H3,15,16,17)
InChIKeyVASVOLONWUAJLK-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.16
Rot. Bonds3

About 2-tert-butyl-1-(4-propylphenyl)guanidine

2-tert-butyl-1-(4-propylphenyl)guanidine (PubChem CID 62378915) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-tert-butyl-1-(4-propylphenyl)guanidine.

Molecular Properties

Compound Name2-tert-butyl-1-(4-propylphenyl)guanidine
PubChem CID62378915
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-tert-butyl-1-(4-propylphenyl)guanidine
SMILESCCCc1ccc(N/C(N)=N/C(C)(C)C)cc1
InChIInChI=1S/C14H23N3/c1-5-6-11-7-9-12(10-8-11)16-13(15)17-14(2,3)4/h7-10H,5-6H2,1-4H3,(H3,15,16,17)
InChIKeyVASVOLONWUAJLK-UHFFFAOYSA-N
XLogP3.16
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.16
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'}

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Related Compounds

2-tert-butyl-1-(4-tert-butylphenyl)guanidine
CID 55068593
2-tert-butyl-1-(4-methylphenyl)guanidine
CID 62379997
2-tert-butyl-1-[4-(trifluoromethyl)phenyl]guanidine
CID 62378703
2-tert-butyl-1-(4-sulfamoylphenyl)guanidine
CID 55068310
2-tert-butyl-1-(4-phenoxyphenyl)guanidine
CID 62379783
2-tert-butyl-1-(4-propan-2-yloxyphenyl)guanidine
CID 55068406
1-tert-butyl-3-(4-propylphenyl)urea
CID 113218267
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide
CID 115157180
1-amino-2-ethyl-3-(4-propylphenyl)guanidine
CID 116513167
N-but-1-en-2-yl-4-propylaniline
CID 142064783
1-(4-butylphenyl)-2-cyclopropylguanidine
CID 62378914

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(4-propylphenyl)guanidine?
The IUPAC name of 2-tert-butyl-1-(4-propylphenyl)guanidine (CID 62378915) is 2-tert-butyl-1-(4-propylphenyl)guanidine.
What is the SMILES notation for 2-tert-butyl-1-(4-propylphenyl)guanidine?
The canonical SMILES for 2-tert-butyl-1-(4-propylphenyl)guanidine is CCCc1ccc(N/C(N)=N/C(C)(C)C)cc1.
What is the InChIKey of 2-tert-butyl-1-(4-propylphenyl)guanidine?
The InChIKey is VASVOLONWUAJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-6-11-7-9-12(10-8-11)16-13(15)17-14(2,3)4/h7-10H,5-6H2,1-4H3,(H3,15,16,17).
What are the key properties of 2-tert-butyl-1-(4-propylphenyl)guanidine?
2-tert-butyl-1-(4-propylphenyl)guanidine has a molecular weight of 233.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(4-propylphenyl)guanidine is sourced from PubChem (CID 62378915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).