N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide

C13H20N2O — CID 63692580

IUPACN-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccccc1)N(CC)CCOCC
InChIInChI=1S/C13H20N2O/c1-3-15(10-11-16-4-2)13(14)12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3/b14-13-
InChIKeyDBBIURHFYVONPI-YPKPFQOOSA-N
MW220.32 g/mol
LogP2.37
Rot. Bonds6

About N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide

N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide (PubChem CID 63692580) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide
PubChem CID63692580
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccccc1)N(CC)CCOCC
InChIInChI=1S/C13H20N2O/c1-3-15(10-11-16-4-2)13(14)12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3/b14-13-
InChIKeyDBBIURHFYVONPI-YPKPFQOOSA-N
XLogP2.37
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide
CID 63725873
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide
CID 63176847
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-2-phenylacetamide
CID 63692706
4-bromo-N,N-diethylbenzenecarboximidamide
CID 63179467
4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide
CID 63691274
N-cyclopropyl-N-ethylbenzenecarboximidamide
CID 63176198
N,N-diethyl-3-hydroxybenzenecarboximidamide
CID 107922201
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
N,N-bis(2-ethoxyethyl)butanimidamide
CID 82959932
N-cyclopentyl-N-ethylbenzenecarboximidamide
CID 63175661
2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid
CID 63691296

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide (CID 63692580) is N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide is [H]/N=C(/c1ccccc1)N(CC)CCOCC.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide?
The InChIKey is DBBIURHFYVONPI-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-15(10-11-16-4-2)13(14)12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3/b14-13-.
What are the key properties of N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide?
N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide has a molecular weight of 220.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide is sourced from PubChem (CID 63692580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).