3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine

C12H20N4 — CID 116512868

IUPAC3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine
SMILESCC(C)C/N=C(\NN)N(C)c1ccccc1
InChIInChI=1S/C12H20N4/c1-10(2)9-14-12(15-13)16(3)11-7-5-4-6-8-11/h4-8,10H,9,13H2,1-3H3,(H,14,15)
InChIKeyQFFOTOZWOSQKFN-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.60
Rot. Bonds3

About 3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine

3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine (PubChem CID 116512868) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine.

Molecular Properties

Compound Name3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine
PubChem CID116512868
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine
SMILESCC(C)C/N=C(\NN)N(C)c1ccccc1
InChIInChI=1S/C12H20N4/c1-10(2)9-14-12(15-13)16(3)11-7-5-4-6-8-11/h4-8,10H,9,13H2,1-3H3,(H,14,15)
InChIKeyQFFOTOZWOSQKFN-UHFFFAOYSA-N
XLogP1.60
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-amino-1-(4-methoxyphenyl)-1-methyl-2-(2-methylpropyl)guanidine
CID 116514243
3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine
CID 116515566
3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine
CID 104883395
3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine
CID 104883606
3-amino-1,1-bis(2-methylpropyl)-2-phenylguanidine
CID 116513758
3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine
CID 116513793
3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine
CID 116514645
1-[3-(N-ethylanilino)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111035148
1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine
CID 116512402
1-(4-cyanophenyl)-1-methyl-2-(2-methylpropyl)guanidine
CID 55140815
3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea
CID 82507336
N,N'-dimethyl-N-phenylpropanimidamide
CID 155020037

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine?
The IUPAC name of 3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine (CID 116512868) is 3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine.
What is the SMILES notation for 3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine?
The canonical SMILES for 3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine is CC(C)C/N=C(\NN)N(C)c1ccccc1.
What is the InChIKey of 3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine?
The InChIKey is QFFOTOZWOSQKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10(2)9-14-12(15-13)16(3)11-7-5-4-6-8-11/h4-8,10H,9,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine?
3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine has a molecular weight of 220.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine is sourced from PubChem (CID 116512868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).