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

C12H17N5 — CID 20786163

IUPACN-(2,2-dimethylpropyl)-3-(2H-tetrazol-5-yl)aniline
SMILESCC(C)(C)CNc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H17N5/c1-12(2,3)8-13-10-6-4-5-9(7-10)11-14-16-17-15-11/h4-7,13H,8H2,1-3H3,(H,14,15,16,17)
InChIKeyNDZXZUQLQNPCMD-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.32
Rot. Bonds3

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

N-(2,2-dimethylpropyl)-3-(2H-tetrazol-5-yl)aniline (PubChem CID 20786163) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-(2H-tetrazol-5-yl)aniline
PubChem CID20786163
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-(2,2-dimethylpropyl)-3-(2H-tetrazol-5-yl)aniline
SMILESCC(C)(C)CNc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H17N5/c1-12(2,3)8-13-10-6-4-5-9(7-10)11-14-16-17-15-11/h4-7,13H,8H2,1-3H3,(H,14,15,16,17)
InChIKeyNDZXZUQLQNPCMD-UHFFFAOYSA-N
XLogP2.32
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-(2H-tetrazol-5-yl)aniline?
The IUPAC name of N-(2,2-dimethylpropyl)-3-(2H-tetrazol-5-yl)aniline (CID 20786163) is N-(2,2-dimethylpropyl)-3-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-(2H-tetrazol-5-yl)aniline is CC(C)(C)CNc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-(2H-tetrazol-5-yl)aniline?
The InChIKey is NDZXZUQLQNPCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-12(2,3)8-13-10-6-4-5-9(7-10)11-14-16-17-15-11/h4-7,13H,8H2,1-3H3,(H,14,15,16,17).
What are the key properties of N-(2,2-dimethylpropyl)-3-(2H-tetrazol-5-yl)aniline?
N-(2,2-dimethylpropyl)-3-(2H-tetrazol-5-yl)aniline has a molecular weight of 231.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 20786163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).