2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole

C19H40N4 — CID 19771426

IUPAC2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole
SMILESCCCCC(CC)CNCC(CC)CCCC.Cn1cncn1
InChIInChI=1S/C16H35N.C3H5N3/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;1-6-3-4-2-5-6/h15-17H,5-14H2,1-4H3;2-3H,1H3
InChIKeyXEBPVKKGGKAINR-UHFFFAOYSA-N
MW324.56 g/mol
LogP4.82
Rot. Bonds12

About 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole

2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole (PubChem CID 19771426) has the molecular formula C19H40N4 and a molecular weight of 324.56 g/mol. Its IUPAC name is 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole
PubChem CID19771426
Molecular FormulaC19H40N4
Molecular Weight324.56 g/mol
Exact Mass324.33
IUPAC Name2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole
SMILESCCCCC(CC)CNCC(CC)CCCC.Cn1cncn1
InChIInChI=1S/C16H35N.C3H5N3/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;1-6-3-4-2-5-6/h15-17H,5-14H2,1-4H3;2-3H,1H3
InChIKeyXEBPVKKGGKAINR-UHFFFAOYSA-N
XLogP4.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole?
The IUPAC name of 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole (CID 19771426) is 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole.
What is the SMILES notation for 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole?
The canonical SMILES for 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole is CCCCC(CC)CNCC(CC)CCCC.Cn1cncn1.
What is the InChIKey of 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole?
The InChIKey is XEBPVKKGGKAINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.C3H5N3/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;1-6-3-4-2-5-6/h15-17H,5-14H2,1-4H3;2-3H,1H3.
What are the key properties of 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole?
2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole has a molecular weight of 324.56 g/mol, XLogP of 4.82, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole is sourced from PubChem (CID 19771426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).