2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine

C12H19N3 — CID 62363437

IUPAC2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine
SMILESCC/N=C(\N)N(C)Cc1cccc(C)c1
InChIInChI=1S/C12H19N3/c1-4-14-12(13)15(3)9-11-7-5-6-10(2)8-11/h5-8H,4,9H2,1-3H3,(H2,13,14)
InChIKeyLVQCXXHUBGKAFT-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.76
Rot. Bonds3

About 2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine

2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine (PubChem CID 62363437) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine
PubChem CID62363437
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine
SMILESCC/N=C(\N)N(C)Cc1cccc(C)c1
InChIInChI=1S/C12H19N3/c1-4-14-12(13)15(3)9-11-7-5-6-10(2)8-11/h5-8H,4,9H2,1-3H3,(H2,13,14)
InChIKeyLVQCXXHUBGKAFT-UHFFFAOYSA-N
XLogP1.76
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(3-bromophenyl)methyl]-2-ethyl-1-methylguanidine
CID 62362557
2-tert-butyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 62363656
1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 44827695
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62230250
2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine
CID 62379462
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
CID 61411496
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
1-[(3-cyanophenyl)methyl]-1-methyl-2-propylguanidine
CID 62967583
1,1,3,3-tetramethyl-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111046282
2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide
CID 61414221
N'-hydroxy-3-[methyl-[(3-methylphenyl)methyl]amino]butanimidamide
CID 61413856

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine?
The IUPAC name of 2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine (CID 62363437) is 2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine.
What is the SMILES notation for 2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine?
The canonical SMILES for 2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine is CC/N=C(\N)N(C)Cc1cccc(C)c1.
What is the InChIKey of 2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine?
The InChIKey is LVQCXXHUBGKAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-14-12(13)15(3)9-11-7-5-6-10(2)8-11/h5-8H,4,9H2,1-3H3,(H2,13,14).
What are the key properties of 2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine?
2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine has a molecular weight of 205.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine is sourced from PubChem (CID 62363437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).