N,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine

C14H27N5 — CID 115304991

IUPACN,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine
SMILESCNC1(C)CCN(Cc2ncnn2CC(C)C)CC1
InChIInChI=1S/C14H27N5/c1-12(2)9-19-13(16-11-17-19)10-18-7-5-14(3,15-4)6-8-18/h11-12,15H,5-10H2,1-4H3
InChIKeyXLAXERVNMPFHCS-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.51
Rot. Bonds5

About N,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine

N,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine (PubChem CID 115304991) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine
PubChem CID115304991
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine
SMILESCNC1(C)CCN(Cc2ncnn2CC(C)C)CC1
InChIInChI=1S/C14H27N5/c1-12(2)9-19-13(16-11-17-19)10-18-7-5-14(3,15-4)6-8-18/h11-12,15H,5-10H2,1-4H3
InChIKeyXLAXERVNMPFHCS-UHFFFAOYSA-N
XLogP1.51
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

[3-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]methanamine
CID 114082090
[4-ethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol
CID 110009710
3-amino-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 107324776
3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
CID 110009097
N-methyl-1-(1-methylcyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000139
2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115970091
(2S)-N-cyclopropyl-2-hydroxy-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 129490205
N,4-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine
CID 115305313
1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-(1-thiophen-3-ylethyl)piperazine
CID 75507812
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 129345619
1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 107189619
2,2-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclopentan-1-ol
CID 79862641

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine?
The IUPAC name of N,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine (CID 115304991) is N,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for N,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine is CNC1(C)CCN(Cc2ncnn2CC(C)C)CC1.
What is the InChIKey of N,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine?
The InChIKey is XLAXERVNMPFHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-12(2)9-19-13(16-11-17-19)10-18-7-5-14(3,15-4)6-8-18/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine?
N,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 115304991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).