N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine

C13H26N4 — CID 66193513

IUPACN-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine
SMILESCCCCC(CC)Cn1cc(CNCC)nn1
InChIInChI=1S/C13H26N4/c1-4-7-8-12(5-2)10-17-11-13(15-16-17)9-14-6-3/h11-12,14H,4-10H2,1-3H3
InChIKeyCOLZYLSGVVDGNV-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.60
Rot. Bonds9

About N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine

N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine (PubChem CID 66193513) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine
PubChem CID66193513
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine
SMILESCCCCC(CC)Cn1cc(CNCC)nn1
InChIInChI=1S/C13H26N4/c1-4-7-8-12(5-2)10-17-11-13(15-16-17)9-14-6-3/h11-12,14H,4-10H2,1-3H3
InChIKeyCOLZYLSGVVDGNV-UHFFFAOYSA-N
XLogP2.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine
CID 66193381
4-(bromomethyl)-1-(2-ethylhexyl)triazole
CID 62399724
N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine
CID 82931017
N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine
CID 106718676
1-(2-ethylhexyl)triazole-4-carboxylic acid
CID 62060083
1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine
CID 106227573
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylbutan-1-amine
CID 62423669
2-[1-(2-ethylbutyl)triazol-4-yl]ethanol
CID 82929775
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine
CID 62463402
1-butoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol
CID 107264375
N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
CID 62450786
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine (CID 66193513) is N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine is CCCCC(CC)Cn1cc(CNCC)nn1.
What is the InChIKey of N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine?
The InChIKey is COLZYLSGVVDGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-7-8-12(5-2)10-17-11-13(15-16-17)9-14-6-3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine?
N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine has a molecular weight of 238.38 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66193513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).