2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine

C14H27N5 — CID 62425058

IUPAC2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cn(CCN2CCCCC2)nn1
InChIInChI=1S/C14H27N5/c1-13(2)10-15-11-14-12-19(17-16-14)9-8-18-6-4-3-5-7-18/h12-13,15H,3-11H2,1-2H3
InChIKeyNFMXYXNPDPWXLP-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.51
Rot. Bonds7

About 2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine (PubChem CID 62425058) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine
PubChem CID62425058
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cn(CCN2CCCCC2)nn1
InChIInChI=1S/C14H27N5/c1-13(2)10-15-11-14-12-19(17-16-14)9-8-18-6-4-3-5-7-18/h12-13,15H,3-11H2,1-2H3
InChIKeyNFMXYXNPDPWXLP-UHFFFAOYSA-N
XLogP1.51
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
N-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438721
3-[4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]triazol-1-yl]propan-1-ol
CID 66270310
N-[[1-(3-pyrrolidin-1-ylpropyl)triazol-4-yl]methyl]propan-2-amine
CID 66192005
N-[[1-[2-(4,4-dimethylazepan-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 65286425
N-[[1-[2-(4,5-dimethylimidazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62441592
[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol
CID 78357904
2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62457361
N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine
CID 62418960
2-methyl-N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449803
N-[[1-[2-[cyclobutylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62855866
4-(chloromethyl)-1-(2-pyrrolidin-1-ylethyl)triazole
CID 62399864

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine (CID 62425058) is 2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1cn(CCN2CCCCC2)nn1.
What is the InChIKey of 2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine?
The InChIKey is NFMXYXNPDPWXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-13(2)10-15-11-14-12-19(17-16-14)9-8-18-6-4-3-5-7-18/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62425058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).