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

C14H28N4 — CID 66193381

IUPACN-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine
SMILESCCCCC(CC)Cn1cc(CNC(C)C)nn1
InChIInChI=1S/C14H28N4/c1-5-7-8-13(6-2)10-18-11-14(16-17-18)9-15-12(3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyTYIBMDLKZZKVNM-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.99
Rot. Bonds9

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

N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine (PubChem CID 66193381) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine
PubChem CID66193381
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine
SMILESCCCCC(CC)Cn1cc(CNC(C)C)nn1
InChIInChI=1S/C14H28N4/c1-5-7-8-13(6-2)10-18-11-14(16-17-18)9-15-12(3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyTYIBMDLKZZKVNM-UHFFFAOYSA-N
XLogP2.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine
CID 66193513
4-(bromomethyl)-1-(2-ethylhexyl)triazole
CID 62399724
N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine
CID 82931017
1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine
CID 106227573
1-(2-ethylhexyl)triazole-4-carboxylic acid
CID 62060083
N-methyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]pentan-2-amine
CID 55074863
2-[4-[(octan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66269808
N-[[1-(3-pyrrolidin-1-ylpropyl)triazol-4-yl]methyl]propan-2-amine
CID 66192005
N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66193569
N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine
CID 62730156
2-[1-(2-ethylbutyl)triazol-4-yl]ethanol
CID 82929775
3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268933

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine (CID 66193381) is N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine is CCCCC(CC)Cn1cc(CNC(C)C)nn1.
What is the InChIKey of N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine?
The InChIKey is TYIBMDLKZZKVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-7-8-13(6-2)10-18-11-14(16-17-18)9-15-12(3)4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine?
N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine has a molecular weight of 252.41 g/mol, XLogP of 2.99, 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]propan-2-amine is sourced from PubChem (CID 66193381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).