N-[1-(benzotriazol-1-yl)butyl]aniline

C16H18N4 — CID 14661999

IUPACN-[1-(benzotriazol-1-yl)butyl]aniline
SMILESCCCC(Nc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C16H18N4/c1-2-8-16(17-13-9-4-3-5-10-13)20-15-12-7-6-11-14(15)18-19-20/h3-7,9-12,16-17H,2,8H2,1H3
InChIKeyIUTFFALYTIDZSF-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.84
Rot. Bonds5

About N-[1-(benzotriazol-1-yl)butyl]aniline

N-[1-(benzotriazol-1-yl)butyl]aniline (PubChem CID 14661999) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[1-(benzotriazol-1-yl)butyl]aniline.

Molecular Properties

Compound NameN-[1-(benzotriazol-1-yl)butyl]aniline
PubChem CID14661999
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[1-(benzotriazol-1-yl)butyl]aniline
SMILESCCCC(Nc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C16H18N4/c1-2-8-16(17-13-9-4-3-5-10-13)20-15-12-7-6-11-14(15)18-19-20/h3-7,9-12,16-17H,2,8H2,1H3
InChIKeyIUTFFALYTIDZSF-UHFFFAOYSA-N
XLogP3.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(benzotriazol-1-yl)butyl]-3,5-dichloroaniline
CID 5167852
N-[1-(benzotriazol-1-yl)butyl]-3-chloro-4-fluoroaniline
CID 5213451
1-[1-(benzotriazol-1-yl)butyl]-1,2-diphenylhydrazine
CID 3480001
N-[1,3-bis(benzotriazol-1-yl)butyl]-4-chloroaniline
CID 3657048
2-(benzotriazol-1-yl)-N-tert-butylpentan-1-amine
CID 83044953
1-(1,1,1-trifluoropentan-2-yl)benzotriazole
CID 70935119
4-[[(1S,2R)-1,2-bis(benzotriazol-1-yl)-2-(4-hydroxyanilino)ethyl]amino]phenol
CID 27191099
3-(benzotriazol-1-yl)hexan-2-one
CID 154962693
N-[1-(benzotriazol-1-yl)propyl]benzamide
CID 3733737
4-(benzotriazol-1-yl)-N-propylpentan-1-amine
CID 62448554
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
1-(benzotriazol-1-yl)-N,N'-bis(2-ethylhexyl)ethane-1,2-diamine
CID 22217665

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzotriazol-1-yl)butyl]aniline?
The IUPAC name of N-[1-(benzotriazol-1-yl)butyl]aniline (CID 14661999) is N-[1-(benzotriazol-1-yl)butyl]aniline.
What is the SMILES notation for N-[1-(benzotriazol-1-yl)butyl]aniline?
The canonical SMILES for N-[1-(benzotriazol-1-yl)butyl]aniline is CCCC(Nc1ccccc1)n1nnc2ccccc21.
What is the InChIKey of N-[1-(benzotriazol-1-yl)butyl]aniline?
The InChIKey is IUTFFALYTIDZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-8-16(17-13-9-4-3-5-10-13)20-15-12-7-6-11-14(15)18-19-20/h3-7,9-12,16-17H,2,8H2,1H3.
What are the key properties of N-[1-(benzotriazol-1-yl)butyl]aniline?
N-[1-(benzotriazol-1-yl)butyl]aniline has a molecular weight of 266.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzotriazol-1-yl)butyl]aniline is sourced from PubChem (CID 14661999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).