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

C13H26N4 — CID 106227573

IUPAC1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine
SMILESCCCCC(CC)Cn1cc(C(N)CC)nn1
InChIInChI=1S/C13H26N4/c1-4-7-8-11(5-2)9-17-10-13(15-16-17)12(14)6-3/h10-12H,4-9,14H2,1-3H3
InChIKeySJNWYHMHGZMUNR-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.90
Rot. Bonds8

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

1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine (PubChem CID 106227573) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine
PubChem CID106227573
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine
SMILESCCCCC(CC)Cn1cc(C(N)CC)nn1
InChIInChI=1S/C13H26N4/c1-4-7-8-11(5-2)9-17-10-13(15-16-17)12(14)6-3/h10-12H,4-9,14H2,1-3H3
InChIKeySJNWYHMHGZMUNR-UHFFFAOYSA-N
XLogP2.90
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-1-(2-ethylhexyl)triazole
CID 62399724
1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine
CID 62729711
1-(2-ethylhexyl)triazole-4-carboxylic acid
CID 62060083
N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine
CID 66193513
1-(1-pentyltriazol-4-yl)butan-1-amine
CID 106228799
N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine
CID 66193381
5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol
CID 106227649
1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106227430
1-[1-(2-ethylhexyl)pyrazol-4-yl]butan-2-amine
CID 62731697
1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine
CID 106228916
(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
CID 155858601
1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106227563

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine (CID 106227573) is 1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine is CCCCC(CC)Cn1cc(C(N)CC)nn1.
What is the InChIKey of 1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine?
The InChIKey is SJNWYHMHGZMUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-7-8-11(5-2)9-17-10-13(15-16-17)12(14)6-3/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine?
1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylhexyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106227573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).