2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine

C16H28N4 — CID 111803971

IUPAC2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC(C)(C)NC(C)c1ccccc1
InChIInChI=1S/C16H28N4/c1-5-11-18-15(17)19-12-16(3,4)20-13(2)14-9-7-6-8-10-14/h6-10,13,20H,5,11-12H2,1-4H3,(H3,17,18,19)
InChIKeyGMUFQYJXEZUPBI-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.43
Rot. Bonds7

About 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine

2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine (PubChem CID 111803971) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine
PubChem CID111803971
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC(C)(C)NC(C)c1ccccc1
InChIInChI=1S/C16H28N4/c1-5-11-18-15(17)19-12-16(3,4)20-13(2)14-9-7-6-8-10-14/h6-10,13,20H,5,11-12H2,1-4H3,(H3,17,18,19)
InChIKeyGMUFQYJXEZUPBI-UHFFFAOYSA-N
XLogP2.43
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.43
H-Bond Donors ≤ 53
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-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
CID 111111871
2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide
CID 111810371
1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
CID 111803912
2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111803927
2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111803964
1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111803955
1-(3,4-dimethoxyphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111803947
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111803961
2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide
CID 111799989
4-methyl-N'-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111111877
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568
2-(2,2-dimethylpropyl)-1-propylguanidine
CID 62361794

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine?
The IUPAC name of 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine (CID 111803971) is 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine.
What is the SMILES notation for 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine?
The canonical SMILES for 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine is CCCN/C(N)=N/CC(C)(C)NC(C)c1ccccc1.
What is the InChIKey of 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine?
The InChIKey is GMUFQYJXEZUPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-11-18-15(17)19-12-16(3,4)20-13(2)14-9-7-6-8-10-14/h6-10,13,20H,5,11-12H2,1-4H3,(H3,17,18,19).
What are the key properties of 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine?
2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine has a molecular weight of 276.43 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine is sourced from PubChem (CID 111803971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).