1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine

C18H32N4O — CID 111390079

IUPAC1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)CO)NCCCN(CC)c1ccccc1
InChIInChI=1S/C18H32N4O/c1-4-19-18(21-14-16(3)15-23)20-12-9-13-22(5-2)17-10-7-6-8-11-17/h6-8,10-11,16,23H,4-5,9,12-15H2,1-3H3,(H2,19,20,21)
InChIKeySEWKGEDOZRAILV-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.09
Rot. Bonds10

About 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine

1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine (PubChem CID 111390079) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine
PubChem CID111390079
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)CO)NCCCN(CC)c1ccccc1
InChIInChI=1S/C18H32N4O/c1-4-19-18(21-14-16(3)15-23)20-12-9-13-22(5-2)17-10-7-6-8-11-17/h6-8,10-11,16,23H,4-5,9,12-15H2,1-3H3,(H2,19,20,21)
InChIKeySEWKGEDOZRAILV-UHFFFAOYSA-N
XLogP2.09
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine
CID 111390105
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 111011337
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111390051
1-[3-(N-ethylanilino)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111035148
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111389814
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111602121
1-[4-(diethylamino)butyl]-3-ethyl-2-(3-hydroxy-2-phenylpropyl)guanidine
CID 109410739
1-ethyl-3-[4-(N-methylanilino)butyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111178259
1-[3-(dimethylamino)propyl]-3-ethyl-2-(3-hydroxy-2-phenylpropyl)guanidine
CID 109410711
1-[3-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide
CID 110919333
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111706652
1-[3-(dimethylamino)propyl]-3-ethyl-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109410710

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine (CID 111390079) is 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine is CCN/C(=N\CC(C)CO)NCCCN(CC)c1ccccc1.
What is the InChIKey of 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine?
The InChIKey is SEWKGEDOZRAILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-4-19-18(21-14-16(3)15-23)20-12-9-13-22(5-2)17-10-7-6-8-11-17/h6-8,10-11,16,23H,4-5,9,12-15H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine?
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine has a molecular weight of 320.48 g/mol, XLogP of 2.09, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine is sourced from PubChem (CID 111390079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).