2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline

C15H19N5 — CID 65456225

IUPAC2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline
SMILESCc1ccc(N)c(-c2nnnn2C(C2CC2)C2CC2)c1
InChIInChI=1S/C15H19N5/c1-9-2-7-13(16)12(8-9)15-17-18-19-20(15)14(10-3-4-10)11-5-6-11/h2,7-8,10-11,14H,3-6,16H2,1H3
InChIKeyFQIGAMNPDCNJLP-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.59
Rot. Bonds4

About 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline

2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline (PubChem CID 65456225) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline.

Molecular Properties

Compound Name2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline
PubChem CID65456225
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline
SMILESCc1ccc(N)c(-c2nnnn2C(C2CC2)C2CC2)c1
InChIInChI=1S/C15H19N5/c1-9-2-7-13(16)12(8-9)15-17-18-19-20(15)14(10-3-4-10)11-5-6-11/h2,7-8,10-11,14H,3-6,16H2,1H3
InChIKeyFQIGAMNPDCNJLP-UHFFFAOYSA-N
XLogP2.59
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline?
The IUPAC name of 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline (CID 65456225) is 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline.
What is the SMILES notation for 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline?
The canonical SMILES for 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline is Cc1ccc(N)c(-c2nnnn2C(C2CC2)C2CC2)c1.
What is the InChIKey of 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline?
The InChIKey is FQIGAMNPDCNJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-9-2-7-13(16)12(8-9)15-17-18-19-20(15)14(10-3-4-10)11-5-6-11/h2,7-8,10-11,14H,3-6,16H2,1H3.
What are the key properties of 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline?
2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline has a molecular weight of 269.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline is sourced from PubChem (CID 65456225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).