1-(4-tert-butylphenyl)-1-methylguanidine

C12H19N3 — CID 139724615

IUPAC1-(4-tert-butylphenyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H19N3/c1-12(2,3)9-5-7-10(8-6-9)15(4)11(13)14/h5-8H,1-4H3,(H3,13,14)
InChIKeyGCBLNNCSSOELJS-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.31
Rot. Bonds1

About 1-(4-tert-butylphenyl)-1-methylguanidine

1-(4-tert-butylphenyl)-1-methylguanidine (PubChem CID 139724615) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1-methylguanidine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1-methylguanidine
PubChem CID139724615
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-(4-tert-butylphenyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H19N3/c1-12(2,3)9-5-7-10(8-6-9)15(4)11(13)14/h5-8H,1-4H3,(H3,13,14)
InChIKeyGCBLNNCSSOELJS-UHFFFAOYSA-N
XLogP2.31
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.31
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

1-[3,5-bis(trifluoromethyl)phenyl]-1-methylguanidine
CID 57036835
1,2-bis(4-tert-butylphenyl)-1-methylguanidine;hydrobromide
CID 22675713
1-(4-butylphenyl)-1-[(4-tert-butylphenyl)methyl]guanidine
CID 69266902
N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide
CID 115193365
1-(3-ethylphenyl)-1-methylguanidine
CID 19009787
1-methyl-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 123341497
4-tert-butyl-N,N-dimethylbenzenecarboximidamide;4-tert-butyl-N'-methylbenzenecarboximidamide
CID 160588408
1-[2-ethyl-4-(trifluoromethyl)phenyl]-1-methylguanidine
CID 57230854
1-tert-butyl-1-phenylguanidine
CID 23103889
1-carbamimidoyl-1-(4-methylphenyl)guanidine;hydrochloride
CID 3027696
1-[(4-tert-butylphenyl)methyl]-1-(4-phenylmethoxyphenyl)guanidine;hydrochloride
CID 22675800
2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179679

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1-methylguanidine?
The IUPAC name of 1-(4-tert-butylphenyl)-1-methylguanidine (CID 139724615) is 1-(4-tert-butylphenyl)-1-methylguanidine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1-methylguanidine?
The canonical SMILES for 1-(4-tert-butylphenyl)-1-methylguanidine is [H]/N=C(\N)N(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-1-methylguanidine?
The InChIKey is GCBLNNCSSOELJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-12(2,3)9-5-7-10(8-6-9)15(4)11(13)14/h5-8H,1-4H3,(H3,13,14).
What are the key properties of 1-(4-tert-butylphenyl)-1-methylguanidine?
1-(4-tert-butylphenyl)-1-methylguanidine has a molecular weight of 205.31 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-1-methylguanidine is sourced from PubChem (CID 139724615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).