3-(diethylaminomethyl)-N-ethyl-N'-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide

C19H32N4O — CID 111985361

IUPAC3-(diethylaminomethyl)-N-ethyl-N'-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(O)cc1)N1CCC(CN(CC)CC)C1
InChIInChI=1S/C19H32N4O/c1-4-20-19(21-13-16-7-9-18(24)10-8-16)23-12-11-17(15-23)14-22(5-2)6-3/h7-10,17,24H,4-6,11-15H2,1-3H3,(H,20,21)
InChIKeyNGUOXZOFKFCLCW-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.52
Rot. Bonds7

About 3-(diethylaminomethyl)-N-ethyl-N'-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide

3-(diethylaminomethyl)-N-ethyl-N'-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide (PubChem CID 111985361) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-N-ethyl-N'-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-(diethylaminomethyl)-N-ethyl-N'-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide
PubChem CID111985361
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name3-(diethylaminomethyl)-N-ethyl-N'-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(O)cc1)N1CCC(CN(CC)CC)C1
InChIInChI=1S/C19H32N4O/c1-4-20-19(21-13-16-7-9-18(24)10-8-16)23-12-11-17(15-23)14-22(5-2)6-3/h7-10,17,24H,4-6,11-15H2,1-3H3,(H,20,21)
InChIKeyNGUOXZOFKFCLCW-UHFFFAOYSA-N
XLogP2.52
TPSA51.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
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

3-(ethoxymethyl)-N-ethyl-N'-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111985449
N-ethyl-N'-[(4-hydroxyphenyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153338
N'-[(4-bromophenyl)methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111978372
N'-[[4-(ethoxymethyl)phenyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111736206
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111747885
N-ethyl-N'-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111984734
methyl 1-[N-ethyl-N'-[(4-hydroxyphenyl)methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253346
N-ethyl-3-(methoxymethyl)-N'-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111735257
tert-butyl N-[1-[N-ethyl-N'-[(4-hydroxyphenyl)methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111984699
(3R)-N'-[(4-chlorophenyl)methyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111551016
(3R)-N'-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111550497
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111745777

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-N-ethyl-N'-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of 3-(diethylaminomethyl)-N-ethyl-N'-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide (CID 111985361) is 3-(diethylaminomethyl)-N-ethyl-N'-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-(diethylaminomethyl)-N-ethyl-N'-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for 3-(diethylaminomethyl)-N-ethyl-N'-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide is CCN/C(=N\Cc1ccc(O)cc1)N1CCC(CN(CC)CC)C1.
What is the InChIKey of 3-(diethylaminomethyl)-N-ethyl-N'-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide?
The InChIKey is NGUOXZOFKFCLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-4-20-19(21-13-16-7-9-18(24)10-8-16)23-12-11-17(15-23)14-22(5-2)6-3/h7-10,17,24H,4-6,11-15H2,1-3H3,(H,20,21).
What are the key properties of 3-(diethylaminomethyl)-N-ethyl-N'-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide?
3-(diethylaminomethyl)-N-ethyl-N'-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide has a molecular weight of 332.49 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-N-ethyl-N'-[(4-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111985361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).