N-hexyl-4-(triazol-2-yl)aniline

C14H20N4 — CID 43740283

IUPACN-hexyl-4-(triazol-2-yl)aniline
SMILESCCCCCCNc1ccc(-n2nccn2)cc1
InChIInChI=1S/C14H20N4/c1-2-3-4-5-10-15-13-6-8-14(9-7-13)18-16-11-12-17-18/h6-9,11-12,15H,2-5,10H2,1H3
InChIKeyFYEYZVKNSDARIB-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.26
Rot. Bonds7

About N-hexyl-4-(triazol-2-yl)aniline

N-hexyl-4-(triazol-2-yl)aniline (PubChem CID 43740283) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-hexyl-4-(triazol-2-yl)aniline.

Molecular Properties

Compound NameN-hexyl-4-(triazol-2-yl)aniline
PubChem CID43740283
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-hexyl-4-(triazol-2-yl)aniline
SMILESCCCCCCNc1ccc(-n2nccn2)cc1
InChIInChI=1S/C14H20N4/c1-2-3-4-5-10-15-13-6-8-14(9-7-13)18-16-11-12-17-18/h6-9,11-12,15H,2-5,10H2,1H3
InChIKeyFYEYZVKNSDARIB-UHFFFAOYSA-N
XLogP3.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-4-pyrrolidin-1-ylaniline
CID 43228680
4-fluoro-N-heptylaniline
CID 43129312
4-methyl-N-octylaniline
CID 11816856
N-heptyl-4-piperidin-1-ylaniline
CID 43715656
N-nonadecylaniline
CID 54509054
N-heptylaniline;hydrate
CID 174886464
N-heptyl-1-[12-[4-(heptylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-amine
CID 3049376
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
4-(chloromethyl)-N-hexylaniline
CID 65025803
4-carbazol-9-yl-N-pentylaniline
CID 66968875
N-hexyl-6-pyrazol-1-ylpyridin-3-amine
CID 43704280
N-hexyl-3-pyrazol-1-ylaniline
CID 43739910

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-(triazol-2-yl)aniline?
The IUPAC name of N-hexyl-4-(triazol-2-yl)aniline (CID 43740283) is N-hexyl-4-(triazol-2-yl)aniline.
What is the SMILES notation for N-hexyl-4-(triazol-2-yl)aniline?
The canonical SMILES for N-hexyl-4-(triazol-2-yl)aniline is CCCCCCNc1ccc(-n2nccn2)cc1.
What is the InChIKey of N-hexyl-4-(triazol-2-yl)aniline?
The InChIKey is FYEYZVKNSDARIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-3-4-5-10-15-13-6-8-14(9-7-13)18-16-11-12-17-18/h6-9,11-12,15H,2-5,10H2,1H3.
What are the key properties of N-hexyl-4-(triazol-2-yl)aniline?
N-hexyl-4-(triazol-2-yl)aniline has a molecular weight of 244.34 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-(triazol-2-yl)aniline is sourced from PubChem (CID 43740283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).