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

C10H17N3S — CID 62363953

IUPAC2-propyl-1-(1-thiophen-2-ylethyl)guanidine
SMILESCCC/N=C(\N)NC(C)c1cccs1
InChIInChI=1S/C10H17N3S/c1-3-6-12-10(11)13-8(2)9-5-4-7-14-9/h4-5,7-8H,3,6H2,1-2H3,(H3,11,12,13)
InChIKeyKMQLYOZSQJTTNN-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.12
Rot. Bonds4

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

2-propyl-1-(1-thiophen-2-ylethyl)guanidine (PubChem CID 62363953) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-propyl-1-(1-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-propyl-1-(1-thiophen-2-ylethyl)guanidine
PubChem CID62363953
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-propyl-1-(1-thiophen-2-ylethyl)guanidine
SMILESCCC/N=C(\N)NC(C)c1cccs1
InChIInChI=1S/C10H17N3S/c1-3-6-12-10(11)13-8(2)9-5-4-7-14-9/h4-5,7-8H,3,6H2,1-2H3,(H3,11,12,13)
InChIKeyKMQLYOZSQJTTNN-UHFFFAOYSA-N
XLogP2.12
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.12
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-ylpropyl)guanidine
CID 62362455
2-benzyl-1-(1-thiophen-2-ylethyl)guanidine
CID 130158185
2-benzyl-1-[(1R)-1-thiophen-2-ylethyl]guanidine
CID 130567874
1-[1-(4-methylphenyl)ethyl]-2-propylguanidine
CID 62362034
2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81407804
1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine
CID 110919590
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide
CID 36974814
2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81408318
1-thiophen-2-ylethylhydrazine
CID 18071025
2-(dipropylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78822073
4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408620
N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43420221

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(1-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-propyl-1-(1-thiophen-2-ylethyl)guanidine (CID 62363953) is 2-propyl-1-(1-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-propyl-1-(1-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-propyl-1-(1-thiophen-2-ylethyl)guanidine is CCC/N=C(\N)NC(C)c1cccs1.
What is the InChIKey of 2-propyl-1-(1-thiophen-2-ylethyl)guanidine?
The InChIKey is KMQLYOZSQJTTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-6-12-10(11)13-8(2)9-5-4-7-14-9/h4-5,7-8H,3,6H2,1-2H3,(H3,11,12,13).
What are the key properties of 2-propyl-1-(1-thiophen-2-ylethyl)guanidine?
2-propyl-1-(1-thiophen-2-ylethyl)guanidine has a molecular weight of 211.33 g/mol, XLogP of 2.12, 4 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-ylethyl)guanidine is sourced from PubChem (CID 62363953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).