N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline

C14H21N5 — CID 122191162

IUPACN-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline
SMILESCCCCCCN(Cc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C14H21N5/c1-2-3-4-8-11-19(12-14-15-17-18-16-14)13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,15,16,17,18)
InChIKeyUVFZRFLSTCJNGE-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.79
Rot. Bonds8

About N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline

N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline (PubChem CID 122191162) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline.

Molecular Properties

Compound NameN-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline
PubChem CID122191162
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline
SMILESCCCCCCN(Cc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C14H21N5/c1-2-3-4-8-11-19(12-14-15-17-18-16-14)13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,15,16,17,18)
InChIKeyUVFZRFLSTCJNGE-UHFFFAOYSA-N
XLogP2.79
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline?
The IUPAC name of N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline (CID 122191162) is N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline.
What is the SMILES notation for N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline?
The canonical SMILES for N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline is CCCCCCN(Cc1nn[nH]n1)c1ccccc1.
What is the InChIKey of N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline?
The InChIKey is UVFZRFLSTCJNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-3-4-8-11-19(12-14-15-17-18-16-14)13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,15,16,17,18).
What are the key properties of N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline?
N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline has a molecular weight of 259.36 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline is sourced from PubChem (CID 122191162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).