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

C12H24N4O — CID 116803927

IUPACN',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine
SMILESCC(C)n1cc(OCCNCCN(C)C)cn1
InChIInChI=1S/C12H24N4O/c1-11(2)16-10-12(9-14-16)17-8-6-13-5-7-15(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyZGDCYDFDYFLZMC-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.99
Rot. Bonds8

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

N',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine (PubChem CID 116803927) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine
PubChem CID116803927
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine
SMILESCC(C)n1cc(OCCNCCN(C)C)cn1
InChIInChI=1S/C12H24N4O/c1-11(2)16-10-12(9-14-16)17-8-6-13-5-7-15(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyZGDCYDFDYFLZMC-UHFFFAOYSA-N
XLogP0.99
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.99
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

N,N-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116805301
N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine
CID 116793723
4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine
CID 116803962
N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine
CID 116803900
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200
1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine
CID 116803887
2-bromo-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]aniline
CID 116803954
4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole
CID 116800947
4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole
CID 103414014
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60686611
N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62598284

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine (CID 116803927) is N',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine is CC(C)n1cc(OCCNCCN(C)C)cn1.
What is the InChIKey of N',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine?
The InChIKey is ZGDCYDFDYFLZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-11(2)16-10-12(9-14-16)17-8-6-13-5-7-15(3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 0.99, 8 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-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine is sourced from PubChem (CID 116803927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).