1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine

C12H22N4S — CID 106013210

IUPAC1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine
SMILESCCc1ccc(C/N=C(/NN)NCC(C)C)s1
InChIInChI=1S/C12H22N4S/c1-4-10-5-6-11(17-10)8-15-12(16-13)14-7-9(2)3/h5-6,9H,4,7-8,13H2,1-3H3,(H2,14,15,16)
InChIKeyZMENGXFGZNQFHB-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.88
Rot. Bonds5

About 1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine

1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine (PubChem CID 106013210) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine
PubChem CID106013210
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine
SMILESCCc1ccc(C/N=C(/NN)NCC(C)C)s1
InChIInChI=1S/C12H22N4S/c1-4-10-5-6-11(17-10)8-15-12(16-13)14-7-9(2)3/h5-6,9H,4,7-8,13H2,1-3H3,(H2,14,15,16)
InChIKeyZMENGXFGZNQFHB-UHFFFAOYSA-N
XLogP1.88
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126408
1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine
CID 116511400
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-methylpropyl)guanidine;hydroiodide
CID 111511692
2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine
CID 106015829
1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine
CID 116515230
1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111178780
N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide
CID 111956547
1-[2-(diethylamino)ethyl]-3-ethyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine
CID 111957911
1-[2-(diethylamino)propyl]-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine
CID 111956597
1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine
CID 116513135
methyl 3-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]propanoate
CID 111956995
1-amino-3-(1-methoxypropan-2-yl)-2-[(5-methylthiophen-2-yl)methyl]guanidine
CID 116513657

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine?
The IUPAC name of 1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine (CID 106013210) is 1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine?
The canonical SMILES for 1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine is CCc1ccc(C/N=C(/NN)NCC(C)C)s1.
What is the InChIKey of 1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine?
The InChIKey is ZMENGXFGZNQFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-4-10-5-6-11(17-10)8-15-12(16-13)14-7-9(2)3/h5-6,9H,4,7-8,13H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine?
1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine has a molecular weight of 254.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 106013210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).