N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine

C13H26N4O — CID 112669585

IUPACN-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
SMILESCCOCCN(C)C(CN)c1cn(C)nc1CC
InChIInChI=1S/C13H26N4O/c1-5-12-11(10-17(4)15-12)13(9-14)16(3)7-8-18-6-2/h10,13H,5-9,14H2,1-4H3
InChIKeyULAKWLOJCDQRFG-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.95
Rot. Bonds8

About N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine

N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine (PubChem CID 112669585) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
PubChem CID112669585
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
SMILESCCOCCN(C)C(CN)c1cn(C)nc1CC
InChIInChI=1S/C13H26N4O/c1-5-12-11(10-17(4)15-12)13(9-14)16(3)7-8-18-6-2/h10,13H,5-9,14H2,1-4H3
InChIKeyULAKWLOJCDQRFG-UHFFFAOYSA-N
XLogP0.95
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 112669268
1-(3-ethyl-1-methylpyrazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 112669221
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 112669262
N-(2,2-dimethylpropyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 112669374
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 115990044
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 115989833
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 112669289
N-[2-(dimethylamino)ethyl]-1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 115989943
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 115989848
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 115990041
N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 115989859
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 115989817

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine (CID 112669585) is N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine is CCOCCN(C)C(CN)c1cn(C)nc1CC.
What is the InChIKey of N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine?
The InChIKey is ULAKWLOJCDQRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-5-12-11(10-17(4)15-12)13(9-14)16(3)7-8-18-6-2/h10,13H,5-9,14H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine?
N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 112669585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).