1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine

C11H19N3S — CID 62362772

IUPAC1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine
SMILESCC(C)C/N=C(\N)N(C)Cc1ccsc1
InChIInChI=1S/C11H19N3S/c1-9(2)6-13-11(12)14(3)7-10-4-5-15-8-10/h4-5,8-9H,6-7H2,1-3H3,(H2,12,13)
InChIKeyWJUBDWGVMBFEOI-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.15
Rot. Bonds4

About 1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine

1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine (PubChem CID 62362772) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine
PubChem CID62362772
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine
SMILESCC(C)C/N=C(\N)N(C)Cc1ccsc1
InChIInChI=1S/C11H19N3S/c1-9(2)6-13-11(12)14(3)7-10-4-5-15-8-10/h4-5,8-9H,6-7H2,1-3H3,(H2,12,13)
InChIKeyWJUBDWGVMBFEOI-UHFFFAOYSA-N
XLogP2.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
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-methyl-2-prop-2-enyl-1-(thiophen-3-ylmethyl)guanidine
CID 75371819
N'-(2-methylpropyl)thiophene-3-carboximidamide
CID 62049223
methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 79407741
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
1-methyl-1-[(2-methylfuran-3-yl)methyl]-2-(2-methylpropyl)guanidine
CID 62378928
N'-hydroxy-3-[methyl(thiophen-3-ylmethyl)amino]pentanimidamide
CID 43528245
2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide
CID 79797348
2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide
CID 63248055
2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
CID 55215186
N,2,2-trimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 39966816
2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile
CID 60670408
3-methyl-5-[methyl(thiophen-3-ylmethyl)amino]-5-oxopentanoic acid
CID 55157709

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine?
The IUPAC name of 1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine (CID 62362772) is 1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine.
What is the SMILES notation for 1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine?
The canonical SMILES for 1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine is CC(C)C/N=C(\N)N(C)Cc1ccsc1.
What is the InChIKey of 1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine?
The InChIKey is WJUBDWGVMBFEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9(2)6-13-11(12)14(3)7-10-4-5-15-8-10/h4-5,8-9H,6-7H2,1-3H3,(H2,12,13).
What are the key properties of 1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine?
1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine has a molecular weight of 225.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine is sourced from PubChem (CID 62362772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).