1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine

C10H17N3S — CID 110919590

IUPAC1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine
SMILESCCC(C)N/C(N)=N/Cc1cccs1
InChIInChI=1S/C10H17N3S/c1-3-8(2)13-10(11)12-7-9-5-4-6-14-9/h4-6,8H,3,7H2,1-2H3,(H3,11,12,13)
InChIKeyWYFNOUGEXIMMCF-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.95
Rot. Bonds4

About 1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine

1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine (PubChem CID 110919590) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine
PubChem CID110919590
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine
SMILESCCC(C)N/C(N)=N/Cc1cccs1
InChIInChI=1S/C10H17N3S/c1-3-8(2)13-10(11)12-7-9-5-4-6-14-9/h4-6,8H,3,7H2,1-2H3,(H3,11,12,13)
InChIKeyWYFNOUGEXIMMCF-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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

4-[[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]methyl]-N-butan-2-ylbenzamide
CID 111072105
1-butan-2-yl-2-[(2-methylphenyl)methyl]guanidine
CID 110919328
1-[1-(2,4-dichlorophenyl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111026517
1-butan-2-yl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111722041
2-(2-methyl-3-thiophen-2-ylpropyl)-1-propan-2-ylguanidine;hydroiodide
CID 111820061
1-butan-2-yl-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110944271
1-butan-2-yl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 110927490
1-(3-ethylphenyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111026478
1-butan-2-yl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110945359
1-(3-ethylphenyl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111026477
2-benzyl-1-[(1R)-1-thiophen-2-ylethyl]guanidine
CID 130567874
1-butan-2-yl-2-[[4-(ethoxymethyl)phenyl]methyl]guanidine
CID 110919823

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine?
The IUPAC name of 1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine (CID 110919590) is 1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine.
What is the SMILES notation for 1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine?
The canonical SMILES for 1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine is CCC(C)N/C(N)=N/Cc1cccs1.
What is the InChIKey of 1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine?
The InChIKey is WYFNOUGEXIMMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-8(2)13-10(11)12-7-9-5-4-6-14-9/h4-6,8H,3,7H2,1-2H3,(H3,11,12,13).
What are the key properties of 1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine?
1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine has a molecular weight of 211.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine is sourced from PubChem (CID 110919590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).