4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline

C16H21N5 — CID 63686295

IUPAC4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline
SMILESCc1cc(N)ccc1-c1nnnn1CC1CC2CCC1C2
InChIInChI=1S/C16H21N5/c1-10-6-14(17)4-5-15(10)16-18-19-20-21(16)9-13-8-11-2-3-12(13)7-11/h4-6,11-13H,2-3,7-9,17H2,1H3
InChIKeyVVTZECJSJXJCJF-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.67
Rot. Bonds3

About 4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline

4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline (PubChem CID 63686295) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline.

Molecular Properties

Compound Name4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline
PubChem CID63686295
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline
SMILESCc1cc(N)ccc1-c1nnnn1CC1CC2CCC1C2
InChIInChI=1S/C16H21N5/c1-10-6-14(17)4-5-15(10)16-18-19-20-21(16)9-13-8-11-2-3-12(13)7-11/h4-6,11-13H,2-3,7-9,17H2,1H3
InChIKeyVVTZECJSJXJCJF-UHFFFAOYSA-N
XLogP2.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
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-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline
CID 63684284
4-methyl-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
CID 107420425
3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline
CID 79361312
3-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-methylaniline
CID 61352252
4-bromo-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
CID 107420435
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine
CID 79550838
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-5-methylpyrazole
CID 130496682
4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-3-methylaniline
CID 104765237
3-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-4-methylaniline
CID 61377800
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine
CID 79552476
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine
CID 79549769
5-chloro-2-[1-(cyclopropylmethyl)tetrazol-5-yl]aniline
CID 61351853

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline?
The IUPAC name of 4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline (CID 63686295) is 4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline.
What is the SMILES notation for 4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline?
The canonical SMILES for 4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline is Cc1cc(N)ccc1-c1nnnn1CC1CC2CCC1C2.
What is the InChIKey of 4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline?
The InChIKey is VVTZECJSJXJCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-10-6-14(17)4-5-15(10)16-18-19-20-21(16)9-13-8-11-2-3-12(13)7-11/h4-6,11-13H,2-3,7-9,17H2,1H3.
What are the key properties of 4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline?
4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline has a molecular weight of 283.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline is sourced from PubChem (CID 63686295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).