4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline

C14H19N5 — CID 65044046

IUPAC4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NC2CCCC2C)cc1-n1cnnn1
InChIInChI=1S/C14H19N5/c1-10-4-3-5-13(10)16-12-7-6-11(2)14(8-12)19-9-15-17-18-19/h6-10,13,16H,3-5H2,1-2H3
InChIKeySZJYDRJLQWSIIN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.57
Rot. Bonds3

About 4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline

4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline (PubChem CID 65044046) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline
PubChem CID65044046
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NC2CCCC2C)cc1-n1cnnn1
InChIInChI=1S/C14H19N5/c1-10-4-3-5-13(10)16-12-7-6-11(2)14(8-12)19-9-15-17-18-19/h6-10,13,16H,3-5H2,1-2H3
InChIKeySZJYDRJLQWSIIN-UHFFFAOYSA-N
XLogP2.57
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline?
The IUPAC name of 4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline (CID 65044046) is 4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for 4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline?
The canonical SMILES for 4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline is Cc1ccc(NC2CCCC2C)cc1-n1cnnn1.
What is the InChIKey of 4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline?
The InChIKey is SZJYDRJLQWSIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-10-4-3-5-13(10)16-12-7-6-11(2)14(8-12)19-9-15-17-18-19/h6-10,13,16H,3-5H2,1-2H3.
What are the key properties of 4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline?
4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline has a molecular weight of 257.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 65044046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).