[1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine

C13H25N5 — CID 104690284

IUPAC[1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine
SMILESCCC1CCCCCN1CCn1cc(CN)nn1
InChIInChI=1S/C13H25N5/c1-2-13-6-4-3-5-7-17(13)8-9-18-11-12(10-14)15-16-18/h11,13H,2-10,14H2,1H3
InChIKeyAQYUQUISOAUVRG-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.39
Rot. Bonds5

About [1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine

[1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine (PubChem CID 104690284) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is [1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine
PubChem CID104690284
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name[1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine
SMILESCCC1CCCCCN1CCn1cc(CN)nn1
InChIInChI=1S/C13H25N5/c1-2-13-6-4-3-5-7-17(13)8-9-18-11-12(10-14)15-16-18/h11,13H,2-10,14H2,1H3
InChIKeyAQYUQUISOAUVRG-UHFFFAOYSA-N
XLogP1.39
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62440052
N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62440226
[1-[[(2R)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanamine
CID 129496715
1-[2-(2-ethylazepan-1-yl)ethyl]pyrazol-4-amine
CID 104688946
1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 121208743
[1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62437886
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine
CID 116642161
[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine
CID 104690285
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62419091
1-[2-(2-ethylpyrrolidin-1-yl)ethyl]pyrazol-3-amine
CID 63318334
1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine
CID 113441755

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine (CID 104690284) is [1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine is CCC1CCCCCN1CCn1cc(CN)nn1.
What is the InChIKey of [1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine?
The InChIKey is AQYUQUISOAUVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-2-13-6-4-3-5-7-17(13)8-9-18-11-12(10-14)15-16-18/h11,13H,2-10,14H2,1H3.
What are the key properties of [1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine?
[1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine has a molecular weight of 251.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 104690284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).