N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide

C19H32N4 — CID 110956588

IUPACN'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccccc1CN(CC)CC)N1CCCC1
InChIInChI=1S/C19H32N4/c1-4-20-19(23-13-9-10-14-23)21-15-17-11-7-8-12-18(17)16-22(5-2)6-3/h7-8,11-12H,4-6,9-10,13-16H2,1-3H3,(H,20,21)
InChIKeyDDBHMVHTXPREPM-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.09
Rot. Bonds7

About N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide

N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide (PubChem CID 110956588) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
PubChem CID110956588
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC NameN'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccccc1CN(CC)CC)N1CCCC1
InChIInChI=1S/C19H32N4/c1-4-20-19(23-13-9-10-14-23)21-15-17-11-7-8-12-18(17)16-22(5-2)6-3/h7-8,11-12H,4-6,9-10,13-16H2,1-3H3,(H,20,21)
InChIKeyDDBHMVHTXPREPM-UHFFFAOYSA-N
XLogP3.09
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
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

N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955946
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
CID 111145326
N'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956764
N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956660
N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955424
4-acetyl-N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110964100
4-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-N'-[[2-(hydroxymethyl)phenyl]methyl]piperazine-1-carboximidamide
CID 111419647
N'-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956408
4-acetyl-N-ethyl-N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 110962434
N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 110955756
1-(cyclopropylmethyl)-2-[[2-(diethylaminomethyl)phenyl]methyl]-3-ethylguanidine;hydroiodide
CID 111867515
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109484776

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide (CID 110956588) is N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide is CCN/C(=N\Cc1ccccc1CN(CC)CC)N1CCCC1.
What is the InChIKey of N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide?
The InChIKey is DDBHMVHTXPREPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-4-20-19(23-13-9-10-14-23)21-15-17-11-7-8-12-18(17)16-22(5-2)6-3/h7-8,11-12H,4-6,9-10,13-16H2,1-3H3,(H,20,21).
What are the key properties of N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide?
N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide has a molecular weight of 316.49 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 110956588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).