1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine

C12H22N4S — CID 116514136

IUPAC1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\C(c1cccs1)C(C)C)NN
InChIInChI=1S/C12H22N4S/c1-8(2)11(10-6-5-7-17-10)15-12(16-13)14-9(3)4/h5-9,11H,13H2,1-4H3,(H2,14,15,16)
InChIKeyGZOMUCJLVXXHSH-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.26
Rot. Bonds4

About 1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine

1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine (PubChem CID 116514136) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine
PubChem CID116514136
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\C(c1cccs1)C(C)C)NN
InChIInChI=1S/C12H22N4S/c1-8(2)11(10-6-5-7-17-10)15-12(16-13)14-9(3)4/h5-9,11H,13H2,1-4H3,(H2,14,15,16)
InChIKeyGZOMUCJLVXXHSH-UHFFFAOYSA-N
XLogP2.26
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine
CID 116513897
N'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide
CID 63173615
2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine
CID 62368230
N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide
CID 55158432
1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine
CID 116514133
1-thiophen-2-ylethylhydrazine
CID 18071025
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111127090
1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513895
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
N-propan-2-yl-3-thiophen-2-ylbutanamide
CID 175911006
1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513900

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine?
The IUPAC name of 1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine (CID 116514136) is 1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine?
The canonical SMILES for 1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine is CC(C)N/C(=N\C(c1cccs1)C(C)C)NN.
What is the InChIKey of 1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine?
The InChIKey is GZOMUCJLVXXHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-8(2)11(10-6-5-7-17-10)15-12(16-13)14-9(3)4/h5-9,11H,13H2,1-4H3,(H2,14,15,16).
What are the key properties of 1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine?
1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine has a molecular weight of 254.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine is sourced from PubChem (CID 116514136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).