1-hexyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine

C14H25N3S — CID 111161241

IUPAC1-hexyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
SMILESCCCCCCN/C(=N\C)NCCc1cccs1
InChIInChI=1S/C14H25N3S/c1-3-4-5-6-10-16-14(15-2)17-11-9-13-8-7-12-18-13/h7-8,12H,3-6,9-11H2,1-2H3,(H2,15,16,17)
InChIKeyUAHRTURXFCXRTP-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.04
Rot. Bonds8

About 1-hexyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine

1-hexyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111161241) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-hexyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-hexyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
PubChem CID111161241
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-hexyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
SMILESCCCCCCN/C(=N\C)NCCc1cccs1
InChIInChI=1S/C14H25N3S/c1-3-4-5-6-10-16-14(15-2)17-11-9-13-8-7-12-18-13/h7-8,12H,3-6,9-11H2,1-2H3,(H2,15,16,17)
InChIKeyUAHRTURXFCXRTP-UHFFFAOYSA-N
XLogP3.04
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4,4-dimethylpentyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111638024
2-methyl-1-(3-phenylpropyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111199575
N-butyl-4-[[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methyl]benzamide
CID 111349462
1-[3-[di(propan-2-yl)amino]propyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111692354
1-(2-ethoxyethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349597
1-[2-(tert-butylamino)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111766480
1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 110954188
2-methyl-N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]propanamide
CID 111350666
1-[2-(5-iodothiophen-2-yl)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111349158
N-[3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propyl]thiophene-2-carboxamide
CID 111161643
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111349188
1-(cyclopropylmethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111349588

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-hexyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine (CID 111161241) is 1-hexyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-hexyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-hexyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine is CCCCCCN/C(=N\C)NCCc1cccs1.
What is the InChIKey of 1-hexyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is UAHRTURXFCXRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-4-5-6-10-16-14(15-2)17-11-9-13-8-7-12-18-13/h7-8,12H,3-6,9-11H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-hexyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine?
1-hexyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 267.44 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111161241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).