N'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

C16H26N4S — CID 16677879

IUPACN'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCn1cc(CN(CCN(C)C)Cc2cccs2)c(C)n1
InChIInChI=1S/C16H26N4S/c1-5-20-12-15(14(2)17-20)11-19(9-8-18(3)4)13-16-7-6-10-21-16/h6-7,10,12H,5,8-9,11,13H2,1-4H3
InChIKeyLLYJHDLFCGYXRM-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.84
Rot. Bonds8

About N'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

N'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 16677879) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID16677879
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCn1cc(CN(CCN(C)C)Cc2cccs2)c(C)n1
InChIInChI=1S/C16H26N4S/c1-5-20-12-15(14(2)17-20)11-19(9-8-18(3)4)13-16-7-6-10-21-16/h6-7,10,12H,5,8-9,11,13H2,1-4H3
InChIKeyLLYJHDLFCGYXRM-UHFFFAOYSA-N
XLogP2.84
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 16677879) is N'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is CCn1cc(CN(CCN(C)C)Cc2cccs2)c(C)n1.
What is the InChIKey of N'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is LLYJHDLFCGYXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-5-20-12-15(14(2)17-20)11-19(9-8-18(3)4)13-16-7-6-10-21-16/h6-7,10,12H,5,8-9,11,13H2,1-4H3.
What are the key properties of N'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 306.48 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 16677879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).