1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine

C11H20N4S — CID 116513897

IUPAC1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine
SMILESCCC(/N=C(/NN)NC(C)C)c1cccs1
InChIInChI=1S/C11H20N4S/c1-4-9(10-6-5-7-16-10)14-11(15-12)13-8(2)3/h5-9H,4,12H2,1-3H3,(H2,13,14,15)
InChIKeyOHBZWPXSGQISGI-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.02
Rot. Bonds4

About 1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine

1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine (PubChem CID 116513897) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine
PubChem CID116513897
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine
SMILESCCC(/N=C(/NN)NC(C)C)c1cccs1
InChIInChI=1S/C11H20N4S/c1-4-9(10-6-5-7-16-10)14-11(15-12)13-8(2)3/h5-9H,4,12H2,1-3H3,(H2,13,14,15)
InChIKeyOHBZWPXSGQISGI-UHFFFAOYSA-N
XLogP2.02
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.02
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-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine
CID 116514136
N'-(1-thiophen-2-ylpropyl)cyclohexanecarboximidamide
CID 63177157
1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513895
1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513900
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111127090
1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine
CID 116514133
N-propan-2-yl-3-thiophen-2-ylbutanamide
CID 175911006
1-thiophen-2-ylethylhydrazine
CID 18071025
1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111987696
2-[(4-nitrophenyl)methyl]-1-propan-2-yl-3-(1-thiophen-2-ylpropyl)guanidine
CID 111891581
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179
(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine?
The IUPAC name of 1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine (CID 116513897) is 1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine?
The canonical SMILES for 1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine is CCC(/N=C(/NN)NC(C)C)c1cccs1.
What is the InChIKey of 1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine?
The InChIKey is OHBZWPXSGQISGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-4-9(10-6-5-7-16-10)14-11(15-12)13-8(2)3/h5-9H,4,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine?
1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine has a molecular weight of 240.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-propan-2-yl-2-(1-thiophen-2-ylpropyl)guanidine is sourced from PubChem (CID 116513897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).