N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine

C16H26N4S — CID 105160518

IUPACN-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine
SMILESCCNC(CCCc1cccs1)Cc1ncnn1C(C)C
InChIInChI=1S/C16H26N4S/c1-4-17-14(7-5-8-15-9-6-10-21-15)11-16-18-12-19-20(16)13(2)3/h6,9-10,12-14,17H,4-5,7-8,11H2,1-3H3
InChIKeyLUPUGWGTCCDVLE-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.46
Rot. Bonds9

About N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine

N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine (PubChem CID 105160518) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine
PubChem CID105160518
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine
SMILESCCNC(CCCc1cccs1)Cc1ncnn1C(C)C
InChIInChI=1S/C16H26N4S/c1-4-17-14(7-5-8-15-9-6-10-21-15)11-16-18-12-19-20(16)13(2)3/h6,9-10,12-14,17H,4-5,7-8,11H2,1-3H3
InChIKeyLUPUGWGTCCDVLE-UHFFFAOYSA-N
XLogP3.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(5-ethylthiophen-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105136134
N-ethyl-4-methylsulfanyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 105160437
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 63528646
N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine
CID 105163184
N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105152716
1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105151513
N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine
CID 61065868
1-cyclopentyl-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105139096
N-ethyl-1-(3-ethylthiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999726
1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 115861194
1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105113681
N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine
CID 105138838

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine (CID 105160518) is N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine is CCNC(CCCc1cccs1)Cc1ncnn1C(C)C.
What is the InChIKey of N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine?
The InChIKey is LUPUGWGTCCDVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-4-17-14(7-5-8-15-9-6-10-21-15)11-16-18-12-19-20(16)13(2)3/h6,9-10,12-14,17H,4-5,7-8,11H2,1-3H3.
What are the key properties of N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine?
N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine has a molecular weight of 306.48 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 105160518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).