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

C10H15N3 — CID 44827695

IUPAC1-methyl-1-[(3-methylphenyl)methyl]guanidine
SMILES[H]/N=C(\N)N(C)Cc1cccc(C)c1
InChIInChI=1S/C10H15N3/c1-8-4-3-5-9(6-8)7-13(2)10(11)12/h3-6H,7H2,1-2H3,(H3,11,12)
InChIKeyPDENMHYOJXECID-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.32
Rot. Bonds2

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

1-methyl-1-[(3-methylphenyl)methyl]guanidine (PubChem CID 44827695) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-methyl-1-[(3-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-methyl-1-[(3-methylphenyl)methyl]guanidine
PubChem CID44827695
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-methyl-1-[(3-methylphenyl)methyl]guanidine
SMILES[H]/N=C(\N)N(C)Cc1cccc(C)c1
InChIInChI=1S/C10H15N3/c1-8-4-3-5-9(6-8)7-13(2)10(11)12/h3-6H,7H2,1-2H3,(H3,11,12)
InChIKeyPDENMHYOJXECID-UHFFFAOYSA-N
XLogP1.32
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
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

ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
CID 61411496
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 62363437
2-tert-butyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 62363656
3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62230250
(3-methylphenyl)methyl carbamimidothioate;hydrochloride
CID 47109162
(E)-4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875189
benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 130156986
3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 115180689
2-[methyl-[(3-methylphenyl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550218
5-bromo-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114892898

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(3-methylphenyl)methyl]guanidine?
The IUPAC name of 1-methyl-1-[(3-methylphenyl)methyl]guanidine (CID 44827695) is 1-methyl-1-[(3-methylphenyl)methyl]guanidine.
What is the SMILES notation for 1-methyl-1-[(3-methylphenyl)methyl]guanidine?
The canonical SMILES for 1-methyl-1-[(3-methylphenyl)methyl]guanidine is [H]/N=C(\N)N(C)Cc1cccc(C)c1.
What is the InChIKey of 1-methyl-1-[(3-methylphenyl)methyl]guanidine?
The InChIKey is PDENMHYOJXECID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-8-4-3-5-9(6-8)7-13(2)10(11)12/h3-6H,7H2,1-2H3,(H3,11,12).
What are the key properties of 1-methyl-1-[(3-methylphenyl)methyl]guanidine?
1-methyl-1-[(3-methylphenyl)methyl]guanidine has a molecular weight of 177.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(3-methylphenyl)methyl]guanidine is sourced from PubChem (CID 44827695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).