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

C13H18ClN5 — CID 62119532

IUPAC4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline
SMILESCCCC(CC)n1nnnc1-c1cc(N)ccc1Cl
InChIInChI=1S/C13H18ClN5/c1-3-5-10(4-2)19-13(16-17-18-19)11-8-9(15)6-7-12(11)14/h6-8,10H,3-5,15H2,1-2H3
InChIKeyLVPOMWNVOPYDJV-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.33
Rot. Bonds5

About 4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline

4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline (PubChem CID 62119532) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline.

Molecular Properties

Compound Name4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline
PubChem CID62119532
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline
SMILESCCCC(CC)n1nnnc1-c1cc(N)ccc1Cl
InChIInChI=1S/C13H18ClN5/c1-3-5-10(4-2)19-13(16-17-18-19)11-8-9(15)6-7-12(11)14/h6-8,10H,3-5,15H2,1-2H3
InChIKeyLVPOMWNVOPYDJV-UHFFFAOYSA-N
XLogP3.33
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.33
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

3-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62119163
4-chloro-3-[1-(3,3-dimethylbutan-2-yl)tetrazol-5-yl]aniline
CID 104829713
4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline
CID 61378324
4-chloro-3-(1-pentyltetrazol-5-yl)aniline
CID 61353076
3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline
CID 104784596
4-chloro-3-[1-(2,2-difluoroethyl)tetrazol-5-yl]aniline
CID 113304028
2-bromo-5-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62117490
4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline
CID 61470520
2-(1-octan-4-yltetrazol-5-yl)aniline
CID 106026899
2-chloro-3-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline
CID 115936270
4-methyl-3-(1-octan-2-yltetrazol-5-yl)aniline
CID 61477974
2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline
CID 102706313

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline?
The IUPAC name of 4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline (CID 62119532) is 4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline.
What is the SMILES notation for 4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline?
The canonical SMILES for 4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline is CCCC(CC)n1nnnc1-c1cc(N)ccc1Cl.
What is the InChIKey of 4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline?
The InChIKey is LVPOMWNVOPYDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-3-5-10(4-2)19-13(16-17-18-19)11-8-9(15)6-7-12(11)14/h6-8,10H,3-5,15H2,1-2H3.
What are the key properties of 4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline?
4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline has a molecular weight of 279.77 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline is sourced from PubChem (CID 62119532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).