2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine

C20H36N4O — CID 109410655

IUPAC2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine
SMILESCCN/C(=N\CC(CC(C)C)N(C)C)NCC(CO)c1ccccc1
InChIInChI=1S/C20H36N4O/c1-6-21-20(23-14-19(24(4)5)12-16(2)3)22-13-18(15-25)17-10-8-7-9-11-17/h7-11,16,18-19,25H,6,12-15H2,1-5H3,(H2,21,22,23)
InChIKeyKYGUUQWNUKMBON-UHFFFAOYSA-N
MW348.54 g/mol
LogP2.29
Rot. Bonds10

About 2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine

2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine (PubChem CID 109410655) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine
PubChem CID109410655
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC Name2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine
SMILESCCN/C(=N\CC(CC(C)C)N(C)C)NCC(CO)c1ccccc1
InChIInChI=1S/C20H36N4O/c1-6-21-20(23-14-19(24(4)5)12-16(2)3)22-13-18(15-25)17-10-8-7-9-11-17/h7-11,16,18-19,25H,6,12-15H2,1-5H3,(H2,21,22,23)
InChIKeyKYGUUQWNUKMBON-UHFFFAOYSA-N
XLogP2.29
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109408986
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(3-methylbutyl)guanidine
CID 109409009
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 109408465
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-ethyl-2-(3-hydroxy-2-phenylpropyl)guanidine
CID 109408977
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 109407967
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 109407912
2-[2-(dimethylamino)-3-phenylpropyl]-1,3-diethylguanidine
CID 110924766
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(1-phenylcyclopropyl)methyl]guanidine
CID 109410657
1-[3-(dimethylamino)propyl]-3-ethyl-2-(3-hydroxy-2-phenylpropyl)guanidine
CID 109410711
2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide
CID 110924919
1-[3-(dimethylamino)propyl]-3-ethyl-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109410710
2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine
CID 109408044

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine?
The IUPAC name of 2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine (CID 109410655) is 2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine?
The canonical SMILES for 2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine is CCN/C(=N\CC(CC(C)C)N(C)C)NCC(CO)c1ccccc1.
What is the InChIKey of 2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine?
The InChIKey is KYGUUQWNUKMBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O/c1-6-21-20(23-14-19(24(4)5)12-16(2)3)22-13-18(15-25)17-10-8-7-9-11-17/h7-11,16,18-19,25H,6,12-15H2,1-5H3,(H2,21,22,23).
What are the key properties of 2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine?
2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine has a molecular weight of 348.54 g/mol, XLogP of 2.29, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine is sourced from PubChem (CID 109410655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).