1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine

C14H23N3S — CID 111820120

IUPAC1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine
SMILESCC(C/N=C(\N)NCC1CCC1)Cc1cccs1
InChIInChI=1S/C14H23N3S/c1-11(8-13-6-3-7-18-13)9-16-14(15)17-10-12-4-2-5-12/h3,6-7,11-12H,2,4-5,8-10H2,1H3,(H3,15,16,17)
InChIKeySOUODXCBMPNVPO-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.63
Rot. Bonds6

About 1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine

1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine (PubChem CID 111820120) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine
PubChem CID111820120
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine
SMILESCC(C/N=C(\N)NCC1CCC1)Cc1cccs1
InChIInChI=1S/C14H23N3S/c1-11(8-13-6-3-7-18-13)9-16-14(15)17-10-12-4-2-5-12/h3,6-7,11-12H,2,4-5,8-10H2,1H3,(H3,15,16,17)
InChIKeySOUODXCBMPNVPO-UHFFFAOYSA-N
XLogP2.63
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.63
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

1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673165
2-(2-methyl-3-thiophen-2-ylpropyl)-1-propan-2-ylguanidine;hydroiodide
CID 111820061
1-(2-methylprop-2-enyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 136926885
1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine
CID 111081895
ethyl 4-[[N'-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111820078
1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine
CID 111069108
1-(cyclobutylmethyl)-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine
CID 111823895
2-(2-methyl-3-thiophen-2-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111673485
1-cyclopropyl-3-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111495559
1,3-diethyl-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111465195
1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
CID 111099830
1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111056450

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine (CID 111820120) is 1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine is CC(C/N=C(\N)NCC1CCC1)Cc1cccs1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine?
The InChIKey is SOUODXCBMPNVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-11(8-13-6-3-7-18-13)9-16-14(15)17-10-12-4-2-5-12/h3,6-7,11-12H,2,4-5,8-10H2,1H3,(H3,15,16,17).
What are the key properties of 1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine?
1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine has a molecular weight of 265.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine is sourced from PubChem (CID 111820120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).