2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine

C17H26N4 — CID 63642785

IUPAC2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)CNCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C17H26N4/c1-3-5-9-14(4-2)12-18-13-16-17(20-21-19-16)15-10-7-6-8-11-15/h6-8,10-11,14,18H,3-5,9,12-13H2,1-2H3,(H,19,20,21)
InChIKeyMXPIBQRSPVBNSR-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.78
Rot. Bonds9

About 2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine

2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine (PubChem CID 63642785) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine
PubChem CID63642785
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)CNCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C17H26N4/c1-3-5-9-14(4-2)12-18-13-16-17(20-21-19-16)15-10-7-6-8-11-15/h6-8,10-11,14,18H,3-5,9,12-13H2,1-2H3,(H,19,20,21)
InChIKeyMXPIBQRSPVBNSR-UHFFFAOYSA-N
XLogP3.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine
CID 63420299
(2S)-2-ethyl-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 7036530
2-[(2-ethylhexylamino)methyl]-6-methylpyridin-3-ol
CID 78928568
N',N'-diethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]propane-1,3-diamine
CID 63643476
(2S)-2-[(5-phenyl-2H-triazol-4-yl)methylamino]butan-1-ol
CID 98571652
N-[(5-phenyl-2H-triazol-4-yl)methyl]hex-1-yn-3-amine
CID 106225752
4-ethyl-5-phenyl-2H-triazole
CID 15501643
6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol
CID 107848714
2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 62323894
N-[[5-(4-methylphenyl)-2H-triazol-4-yl]methyl]propan-1-amine
CID 69441226
N-(2-ethylhexyl)-2,6-diphenylpyrimidin-4-amine
CID 59340718

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine (CID 63642785) is 2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine is CCCCC(CC)CNCc1n[nH]nc1-c1ccccc1.
What is the InChIKey of 2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine?
The InChIKey is MXPIBQRSPVBNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-5-9-14(4-2)12-18-13-16-17(20-21-19-16)15-10-7-6-8-11-15/h6-8,10-11,14,18H,3-5,9,12-13H2,1-2H3,(H,19,20,21).
What are the key properties of 2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine?
2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine is sourced from PubChem (CID 63642785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).