N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine

C16H32N4 — CID 104999745

IUPACN-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1ncnn1C(C)C)NCC
InChIInChI=1S/C16H32N4/c1-6-9-14(10-7-2)15(17-8-3)11-16-18-12-19-20(16)13(4)5/h12-15,17H,6-11H2,1-5H3
InChIKeyAGXVZINQBARPRQ-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.60
Rot. Bonds10

About N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine

N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine (PubChem CID 104999745) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
PubChem CID104999745
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC NameN-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1ncnn1C(C)C)NCC
InChIInChI=1S/C16H32N4/c1-6-9-14(10-7-2)15(17-8-3)11-16-18-12-19-20(16)13(4)5/h12-15,17H,6-11H2,1-5H3
InChIKeyAGXVZINQBARPRQ-UHFFFAOYSA-N
XLogP3.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine
CID 116719460
1-(2-propan-2-yl-1,2,4-triazol-3-yl)hexane-2,3-diol
CID 103454995
N-ethyl-4-methylsulfanyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 105160437
[1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105246125
[3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105247050
[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 105317424
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine
CID 104999897
N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine
CID 105160518
N-ethyl-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79051289
N-ethyl-1-(2-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999681
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 116718086
1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999487

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine?
The IUPAC name of N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine (CID 104999745) is N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine?
The canonical SMILES for N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine is CCCC(CCC)C(Cc1ncnn1C(C)C)NCC.
What is the InChIKey of N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine?
The InChIKey is AGXVZINQBARPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-6-9-14(10-7-2)15(17-8-3)11-16-18-12-19-20(16)13(4)5/h12-15,17H,6-11H2,1-5H3.
What are the key properties of N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine?
N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine has a molecular weight of 280.46 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine is sourced from PubChem (CID 104999745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).