N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline

C14H19N5 — CID 104584103

IUPACN-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline
SMILESC=CCCC(C)Nc1cc(-n2cnnn2)ccc1C
InChIInChI=1S/C14H19N5/c1-4-5-6-12(3)16-14-9-13(8-7-11(14)2)19-10-15-17-18-19/h4,7-10,12,16H,1,5-6H2,2-3H3
InChIKeyXHHZJBIGPHRNNM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.74
Rot. Bonds6

About N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline

N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline (PubChem CID 104584103) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline
PubChem CID104584103
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline
SMILESC=CCCC(C)Nc1cc(-n2cnnn2)ccc1C
InChIInChI=1S/C14H19N5/c1-4-5-6-12(3)16-14-9-13(8-7-11(14)2)19-10-15-17-18-19/h4,7-10,12,16H,1,5-6H2,2-3H3
InChIKeyXHHZJBIGPHRNNM-UHFFFAOYSA-N
XLogP2.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 103936260
N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 63946708
2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338078
2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline
CID 43700067
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285286
2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline
CID 60972786
5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine
CID 103388349
3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol
CID 75426087
2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
CID 55086376
N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700273
2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 62760274
5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857

Frequently Asked Questions

What is the IUPAC name of N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline?
The IUPAC name of N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline (CID 104584103) is N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline?
The canonical SMILES for N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline is C=CCCC(C)Nc1cc(-n2cnnn2)ccc1C.
What is the InChIKey of N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline?
The InChIKey is XHHZJBIGPHRNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-4-5-6-12(3)16-14-9-13(8-7-11(14)2)19-10-15-17-18-19/h4,7-10,12,16H,1,5-6H2,2-3H3.
What are the key properties of N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline?
N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline has a molecular weight of 257.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 104584103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).