N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C15H30N4O — CID 62843266

IUPACN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCn1nc(C)c(C(C)NCCN(C)CCOC)c1C
InChIInChI=1S/C15H30N4O/c1-7-19-14(4)15(13(3)17-19)12(2)16-8-9-18(5)10-11-20-6/h12,16H,7-11H2,1-6H3
InChIKeyDGLRRDFAYXEONQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.75
Rot. Bonds9

About N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 62843266) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID62843266
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCCn1nc(C)c(C(C)NCCN(C)CCOC)c1C
InChIInChI=1S/C15H30N4O/c1-7-19-14(4)15(13(3)17-19)12(2)16-8-9-18(5)10-11-20-6/h12,16H,7-11H2,1-6H3
InChIKeyDGLRRDFAYXEONQ-UHFFFAOYSA-N
XLogP1.75
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731914
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115712818
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63980803
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]hex-5-yn-1-amine
CID 103903590
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717464
N'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine
CID 62844651
3-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103781997
3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293722
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 113348764
N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55126526
3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103783078
3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 103776522

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 62843266) is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is CCn1nc(C)c(C(C)NCCN(C)CCOC)c1C.
What is the InChIKey of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is DGLRRDFAYXEONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-7-19-14(4)15(13(3)17-19)12(2)16-8-9-18(5)10-11-20-6/h12,16H,7-11H2,1-6H3.
What are the key properties of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62843266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).