2-propyl-1-(1-thiophen-2-ylpropyl)guanidine

C11H19N3S — CID 62362455

IUPAC2-propyl-1-(1-thiophen-2-ylpropyl)guanidine
SMILESCCC/N=C(\N)NC(CC)c1cccs1
InChIInChI=1S/C11H19N3S/c1-3-7-13-11(12)14-9(4-2)10-6-5-8-15-10/h5-6,8-9H,3-4,7H2,1-2H3,(H3,12,13,14)
InChIKeyGRWHTFMBQSDPOE-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.51
Rot. Bonds5

About 2-propyl-1-(1-thiophen-2-ylpropyl)guanidine

2-propyl-1-(1-thiophen-2-ylpropyl)guanidine (PubChem CID 62362455) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-propyl-1-(1-thiophen-2-ylpropyl)guanidine.

Molecular Properties

Compound Name2-propyl-1-(1-thiophen-2-ylpropyl)guanidine
PubChem CID62362455
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-propyl-1-(1-thiophen-2-ylpropyl)guanidine
SMILESCCC/N=C(\N)NC(CC)c1cccs1
InChIInChI=1S/C11H19N3S/c1-3-7-13-11(12)14-9(4-2)10-6-5-8-15-10/h5-6,8-9H,3-4,7H2,1-2H3,(H3,12,13,14)
InChIKeyGRWHTFMBQSDPOE-UHFFFAOYSA-N
XLogP2.51
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-propyl-1-(1-thiophen-2-ylethyl)guanidine
CID 62363953
2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine
CID 62370226
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine
CID 62370058
3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide
CID 81086681
2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
CID 82110517
1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513900
(2R)-4-amino-4-oxo-2-(1-thiophen-2-ylpropylcarbamoylamino)butanoic acid
CID 107826898
N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide
CID 77031256
N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide
CID 77031255
1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine
CID 110919590

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(1-thiophen-2-ylpropyl)guanidine?
The IUPAC name of 2-propyl-1-(1-thiophen-2-ylpropyl)guanidine (CID 62362455) is 2-propyl-1-(1-thiophen-2-ylpropyl)guanidine.
What is the SMILES notation for 2-propyl-1-(1-thiophen-2-ylpropyl)guanidine?
The canonical SMILES for 2-propyl-1-(1-thiophen-2-ylpropyl)guanidine is CCC/N=C(\N)NC(CC)c1cccs1.
What is the InChIKey of 2-propyl-1-(1-thiophen-2-ylpropyl)guanidine?
The InChIKey is GRWHTFMBQSDPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-7-13-11(12)14-9(4-2)10-6-5-8-15-10/h5-6,8-9H,3-4,7H2,1-2H3,(H3,12,13,14).
What are the key properties of 2-propyl-1-(1-thiophen-2-ylpropyl)guanidine?
2-propyl-1-(1-thiophen-2-ylpropyl)guanidine has a molecular weight of 225.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(1-thiophen-2-ylpropyl)guanidine is sourced from PubChem (CID 62362455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).