N-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline

C14H19N5 — CID 79859855

IUPACN-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline
SMILESCC1(C)CCCC1Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C14H19N5/c1-14(2)8-4-7-12(14)15-11-6-3-5-10(9-11)13-16-18-19-17-13/h3,5-6,9,12,15H,4,7-8H2,1-2H3,(H,16,17,18,19)
InChIKeyIAEZJPAIRDJMFF-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.86
Rot. Bonds3

About N-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline

N-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline (PubChem CID 79859855) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline
PubChem CID79859855
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline
SMILESCC1(C)CCCC1Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C14H19N5/c1-14(2)8-4-7-12(14)15-11-6-3-5-10(9-11)13-16-18-19-17-13/h3,5-6,9,12,15H,4,7-8H2,1-2H3,(H,16,17,18,19)
InChIKeyIAEZJPAIRDJMFF-UHFFFAOYSA-N
XLogP2.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline (CID 79859855) is N-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline is CC1(C)CCCC1Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline?
The InChIKey is IAEZJPAIRDJMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-14(2)8-4-7-12(14)15-11-6-3-5-10(9-11)13-16-18-19-17-13/h3,5-6,9,12,15H,4,7-8H2,1-2H3,(H,16,17,18,19).
What are the key properties of N-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline?
N-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline has a molecular weight of 257.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 79859855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).