1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine

C19H34N4O — CID 111011337

IUPAC1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)CO)NCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C19H34N4O/c1-5-20-19(21-13-16(4)15-24)22-14-18(23(6-2)7-3)17-11-9-8-10-12-17/h8-12,16,18,24H,5-7,13-15H2,1-4H3,(H2,20,21,22)
InChIKeyLVJJABAVIMRIEH-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.25
Rot. Bonds10

About 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine

1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine (PubChem CID 111011337) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine
PubChem CID111011337
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)CO)NCC(c1ccccc1)N(CC)CC
InChIInChI=1S/C19H34N4O/c1-5-20-19(21-13-16(4)15-24)22-14-18(23(6-2)7-3)17-11-9-8-10-12-17/h8-12,16,18,24H,5-7,13-15H2,1-4H3,(H2,20,21,22)
InChIKeyLVJJABAVIMRIEH-UHFFFAOYSA-N
XLogP2.25
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.25
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

1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]guanidine
CID 111965451
2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111011119
1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950275
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(3-hydroxy-2-methylpropyl)guanidine
CID 111390079
2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide
CID 110924919
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(1,2-oxazol-3-ylmethyl)guanidine
CID 111964105
N-[2-[[N'-[2-(diethylamino)-2-phenylethyl]-N-ethylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111011003
2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111011334
4-[[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111011280
2-(2,2-diphenylethyl)-1,3-diethylguanidine
CID 110924816
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111510093
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-[[2-(methanesulfonamido)phenyl]methyl]guanidine
CID 111010781

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine?
The IUPAC name of 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine (CID 111011337) is 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine.
What is the SMILES notation for 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine?
The canonical SMILES for 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine is CCN/C(=N\CC(C)CO)NCC(c1ccccc1)N(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine?
The InChIKey is LVJJABAVIMRIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-5-20-19(21-13-16(4)15-24)22-14-18(23(6-2)7-3)17-11-9-8-10-12-17/h8-12,16,18,24H,5-7,13-15H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine?
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine has a molecular weight of 334.51 g/mol, XLogP of 2.25, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine is sourced from PubChem (CID 111011337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).