N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine

C16H31N5 — CID 79052180

IUPACN-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine
SMILESCCNC(Cc1ncnn1CC)C(C)(C)N1CCCCC1
InChIInChI=1S/C16H31N5/c1-5-17-14(12-15-18-13-19-21(15)6-2)16(3,4)20-10-8-7-9-11-20/h13-14,17H,5-12H2,1-4H3
InChIKeyGPOCQVNIEYTIKK-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.08
Rot. Bonds7

About N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine

N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine (PubChem CID 79052180) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine
PubChem CID79052180
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC NameN-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine
SMILESCCNC(Cc1ncnn1CC)C(C)(C)N1CCCCC1
InChIInChI=1S/C16H31N5/c1-5-17-14(12-15-18-13-19-21(15)6-2)16(3,4)20-10-8-7-9-11-20/h13-14,17H,5-12H2,1-4H3
InChIKeyGPOCQVNIEYTIKK-UHFFFAOYSA-N
XLogP2.08
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-ethyl-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79051289
[1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylpentan-2-yl]hydrazine
CID 105241370
[3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105239944
N,3-dimethyl-3-piperidin-1-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 79052008
3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79045251
N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052048
1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052033
1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051283
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312096
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine
CID 116725841
1-cyclobutyl-N-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103169001
1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79052076

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
The IUPAC name of N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine (CID 79052180) is N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine is CCNC(Cc1ncnn1CC)C(C)(C)N1CCCCC1.
What is the InChIKey of N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
The InChIKey is GPOCQVNIEYTIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-5-17-14(12-15-18-13-19-21(15)6-2)16(3,4)20-10-8-7-9-11-20/h13-14,17H,5-12H2,1-4H3.
What are the key properties of N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine has a molecular weight of 293.46 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine is sourced from PubChem (CID 79052180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).