3-(1-hexan-3-yltetrazol-5-yl)aniline

C13H19N5 — CID 62119163

IUPAC3-(1-hexan-3-yltetrazol-5-yl)aniline
SMILESCCCC(CC)n1nnnc1-c1cccc(N)c1
InChIInChI=1S/C13H19N5/c1-3-6-12(4-2)18-13(15-16-17-18)10-7-5-8-11(14)9-10/h5,7-9,12H,3-4,6,14H2,1-2H3
InChIKeyUGADNUOXSNJMGV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.67
Rot. Bonds5

About 3-(1-hexan-3-yltetrazol-5-yl)aniline

3-(1-hexan-3-yltetrazol-5-yl)aniline (PubChem CID 62119163) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(1-hexan-3-yltetrazol-5-yl)aniline.

Molecular Properties

Compound Name3-(1-hexan-3-yltetrazol-5-yl)aniline
PubChem CID62119163
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-(1-hexan-3-yltetrazol-5-yl)aniline
SMILESCCCC(CC)n1nnnc1-c1cccc(N)c1
InChIInChI=1S/C13H19N5/c1-3-6-12(4-2)18-13(15-16-17-18)10-7-5-8-11(14)9-10/h5,7-9,12H,3-4,6,14H2,1-2H3
InChIKeyUGADNUOXSNJMGV-UHFFFAOYSA-N
XLogP2.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62117490
4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62119532
3-(5-phenyltetrazol-1-yl)hexanal
CID 134999980
3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline
CID 104784596
3-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]aniline
CID 82228486
4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline
CID 61378324
2-(1-octan-4-yltetrazol-5-yl)aniline
CID 106026899
3-[1-[(2,2-dimethylcyclopropyl)methyl]tetrazol-5-yl]aniline
CID 114109267
3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61352817
3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
CID 63829431
2-bromo-5-(1-pentan-2-yltetrazol-5-yl)aniline
CID 61354055
3,5-bis(3-aminophenyl)-1,2,4-triazol-4-amine
CID 5302316

Frequently Asked Questions

What is the IUPAC name of 3-(1-hexan-3-yltetrazol-5-yl)aniline?
The IUPAC name of 3-(1-hexan-3-yltetrazol-5-yl)aniline (CID 62119163) is 3-(1-hexan-3-yltetrazol-5-yl)aniline.
What is the SMILES notation for 3-(1-hexan-3-yltetrazol-5-yl)aniline?
The canonical SMILES for 3-(1-hexan-3-yltetrazol-5-yl)aniline is CCCC(CC)n1nnnc1-c1cccc(N)c1.
What is the InChIKey of 3-(1-hexan-3-yltetrazol-5-yl)aniline?
The InChIKey is UGADNUOXSNJMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-6-12(4-2)18-13(15-16-17-18)10-7-5-8-11(14)9-10/h5,7-9,12H,3-4,6,14H2,1-2H3.
What are the key properties of 3-(1-hexan-3-yltetrazol-5-yl)aniline?
3-(1-hexan-3-yltetrazol-5-yl)aniline has a molecular weight of 245.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hexan-3-yltetrazol-5-yl)aniline is sourced from PubChem (CID 62119163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).