N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine

C10H20N4O — CID 116793723

IUPACN',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine
SMILESCN(C)CCNCCOc1cnn(C)c1
InChIInChI=1S/C10H20N4O/c1-13(2)6-4-11-5-7-15-10-8-12-14(3)9-10/h8-9,11H,4-7H2,1-3H3
InChIKeyUZBUTRFOBGQHEM-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.05
Rot. Bonds7

About N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine (PubChem CID 116793723) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine
PubChem CID116793723
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine
SMILESCN(C)CCNCCOc1cnn(C)c1
InChIInChI=1S/C10H20N4O/c1-13(2)6-4-11-5-7-15-10-8-12-14(3)9-10/h8-9,11H,4-7H2,1-3H3
InChIKeyUZBUTRFOBGQHEM-UHFFFAOYSA-N
XLogP-0.05
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.05
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

2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine
CID 116793733
N',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine
CID 116803927
N-[2-(1-methylpyrazol-4-yl)oxyethyl]cyclopentanamine
CID 116793724
3-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
CID 116793697
4-(1-methylpyrazol-4-yl)oxybutane-1-thiol
CID 116794342
2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
CID 116793754
N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62598284
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60686611
N',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine
CID 60686693
5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine
CID 116793720
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
1-methyl-4-(2-propoxyethoxy)pyrazole
CID 106458442

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine (CID 116793723) is N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine is CN(C)CCNCCOc1cnn(C)c1.
What is the InChIKey of N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine?
The InChIKey is UZBUTRFOBGQHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-13(2)6-4-11-5-7-15-10-8-12-14(3)9-10/h8-9,11H,4-7H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine has a molecular weight of 212.30 g/mol, XLogP of -0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine is sourced from PubChem (CID 116793723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).