3-amino-2-(3-methoxypropyl)-1-methyl-1-[(3-methylphenyl)methyl]guanidine

C14H24N4O — CID 116514915

IUPAC3-amino-2-(3-methoxypropyl)-1-methyl-1-[(3-methylphenyl)methyl]guanidine
SMILESCOCCC/N=C(\NN)N(C)Cc1cccc(C)c1
InChIInChI=1S/C14H24N4O/c1-12-6-4-7-13(10-12)11-18(2)14(17-15)16-8-5-9-19-3/h4,6-7,10H,5,8-9,11,15H2,1-3H3,(H,16,17)
InChIKeyBCZQJJUVYBBDLL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.28
Rot. Bonds6

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

3-amino-2-(3-methoxypropyl)-1-methyl-1-[(3-methylphenyl)methyl]guanidine (PubChem CID 116514915) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-2-(3-methoxypropyl)-1-methyl-1-[(3-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name3-amino-2-(3-methoxypropyl)-1-methyl-1-[(3-methylphenyl)methyl]guanidine
PubChem CID116514915
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-amino-2-(3-methoxypropyl)-1-methyl-1-[(3-methylphenyl)methyl]guanidine
SMILESCOCCC/N=C(\NN)N(C)Cc1cccc(C)c1
InChIInChI=1S/C14H24N4O/c1-12-6-4-7-13(10-12)11-18(2)14(17-15)16-8-5-9-19-3/h4,6-7,10H,5,8-9,11,15H2,1-3H3,(H,16,17)
InChIKeyBCZQJJUVYBBDLL-UHFFFAOYSA-N
XLogP1.28
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

3-amino-1-benzyl-2-(3-methoxypropyl)-1-methylguanidine
CID 116512961
3-amino-2-(3-ethoxypropyl)-1-[(3-fluorophenyl)methyl]-1-methylguanidine
CID 116513039
1-[(3-chlorophenyl)methyl]-3-ethyl-2-(3-methoxypropyl)-1-methylguanidine;hydroiodide
CID 111305968
3-amino-2-(3-methoxypropyl)-1-methyl-1-(pyridin-2-ylmethyl)guanidine
CID 116513358
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
CID 61411496
N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 63285263
3-amino-2-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine
CID 116513040
3-amino-1-[(4-chlorophenyl)methyl]-2-(3-ethoxypropyl)-1-methylguanidine
CID 116514718
3-amino-1-(2-methoxyethyl)-1,2-bis(3-methoxypropyl)guanidine
CID 104884958
3-amino-2-(3-ethoxypropyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine
CID 116514540
3-amino-2-(3-methoxypropyl)-1-methyl-1-(2-methylsulfanylethyl)guanidine
CID 104888242
2-ethyl-1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 62363437

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methoxypropyl)-1-methyl-1-[(3-methylphenyl)methyl]guanidine?
The IUPAC name of 3-amino-2-(3-methoxypropyl)-1-methyl-1-[(3-methylphenyl)methyl]guanidine (CID 116514915) is 3-amino-2-(3-methoxypropyl)-1-methyl-1-[(3-methylphenyl)methyl]guanidine.
What is the SMILES notation for 3-amino-2-(3-methoxypropyl)-1-methyl-1-[(3-methylphenyl)methyl]guanidine?
The canonical SMILES for 3-amino-2-(3-methoxypropyl)-1-methyl-1-[(3-methylphenyl)methyl]guanidine is COCCC/N=C(\NN)N(C)Cc1cccc(C)c1.
What is the InChIKey of 3-amino-2-(3-methoxypropyl)-1-methyl-1-[(3-methylphenyl)methyl]guanidine?
The InChIKey is BCZQJJUVYBBDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12-6-4-7-13(10-12)11-18(2)14(17-15)16-8-5-9-19-3/h4,6-7,10H,5,8-9,11,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-2-(3-methoxypropyl)-1-methyl-1-[(3-methylphenyl)methyl]guanidine?
3-amino-2-(3-methoxypropyl)-1-methyl-1-[(3-methylphenyl)methyl]guanidine has a molecular weight of 264.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methoxypropyl)-1-methyl-1-[(3-methylphenyl)methyl]guanidine is sourced from PubChem (CID 116514915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).