2-(4-tert-butylphenyl)guanidine

C11H17N3 — CID 15662596

IUPAC2-(4-tert-butylphenyl)guanidine
SMILESCC(C)(C)c1ccc(N=C(N)N)cc1
InChIInChI=1S/C11H17N3/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h4-7H,1-3H3,(H4,12,13,14)
InChIKeyDSOKWLKBYFUNEO-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.89
Rot. Bonds1

About 2-(4-tert-butylphenyl)guanidine

2-(4-tert-butylphenyl)guanidine (PubChem CID 15662596) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)guanidine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)guanidine
PubChem CID15662596
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-(4-tert-butylphenyl)guanidine
SMILESCC(C)(C)c1ccc(N=C(N)N)cc1
InChIInChI=1S/C11H17N3/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h4-7H,1-3H3,(H4,12,13,14)
InChIKeyDSOKWLKBYFUNEO-UHFFFAOYSA-N
XLogP1.89
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.89
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

4-Isopropylaniline
CID 7464
4-Ethylaniline
CID 11504
o-Tolylbiguanide
CID 7155
4-Butylaniline
CID 7694
4-Propylaniline
CID 75908
4-Pentylaniline
CID 93162
4-Hexylaniline
CID 36382
4-Tert-Butylaniline
CID 69861
N-Hydroxy-N'-(4-butyl-2-methylphenyl)formamidine
CID 2727594
2-tert-Butylaniline
CID 80574
1-carbamimidamido-N-(4-methylphenyl)methanimidamide
CID 2730263
Imidodicarbonimidic diamide, N-(2,4-dimethylphenyl)-
CID 20879

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)guanidine?
The IUPAC name of 2-(4-tert-butylphenyl)guanidine (CID 15662596) is 2-(4-tert-butylphenyl)guanidine.
What is the SMILES notation for 2-(4-tert-butylphenyl)guanidine?
The canonical SMILES for 2-(4-tert-butylphenyl)guanidine is CC(C)(C)c1ccc(N=C(N)N)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)guanidine?
The InChIKey is DSOKWLKBYFUNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h4-7H,1-3H3,(H4,12,13,14).
What are the key properties of 2-(4-tert-butylphenyl)guanidine?
2-(4-tert-butylphenyl)guanidine has a molecular weight of 191.28 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)guanidine is sourced from PubChem (CID 15662596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).