2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline

C14H21N5 — CID 102706313

IUPAC2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline
SMILESCCC(CC)n1nnnc1-c1cc(N)c(C)cc1C
InChIInChI=1S/C14H21N5/c1-5-11(6-2)19-14(16-17-18-19)12-8-13(15)10(4)7-9(12)3/h7-8,11H,5-6,15H2,1-4H3
InChIKeyLQISNCNXQLLNHV-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.90
Rot. Bonds4

About 2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline

2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline (PubChem CID 102706313) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline.

Molecular Properties

Compound Name2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline
PubChem CID102706313
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline
SMILESCCC(CC)n1nnnc1-c1cc(N)c(C)cc1C
InChIInChI=1S/C14H21N5/c1-5-11(6-2)19-14(16-17-18-19)12-8-13(15)10(4)7-9(12)3/h7-8,11H,5-6,15H2,1-4H3
InChIKeyLQISNCNXQLLNHV-UHFFFAOYSA-N
XLogP2.90
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.90
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

4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline
CID 61377736
5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706366
5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706416
4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline
CID 61378324
5-bromo-3-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]-2-methylaniline
CID 107874009
5-[1-(1,4-dioxan-2-ylmethyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706333
4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline
CID 61470520
2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline
CID 102706325
2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline
CID 102706381
2-bromo-5-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62117490
4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62119532
5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706323

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline?
The IUPAC name of 2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline (CID 102706313) is 2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline.
What is the SMILES notation for 2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline?
The canonical SMILES for 2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline is CCC(CC)n1nnnc1-c1cc(N)c(C)cc1C.
What is the InChIKey of 2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline?
The InChIKey is LQISNCNXQLLNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-5-11(6-2)19-14(16-17-18-19)12-8-13(15)10(4)7-9(12)3/h7-8,11H,5-6,15H2,1-4H3.
What are the key properties of 2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline?
2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline has a molecular weight of 259.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline is sourced from PubChem (CID 102706313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).