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

C13H19N5 — CID 43732899

IUPAC3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NC(C)C(C)C)ccc1-n1cnnn1
InChIInChI=1S/C13H19N5/c1-9(2)11(4)15-12-5-6-13(10(3)7-12)18-8-14-16-17-18/h5-9,11,15H,1-4H3
InChIKeyIYHQLWYMNNRNEB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.43
Rot. Bonds4

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

3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline (PubChem CID 43732899) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline
PubChem CID43732899
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NC(C)C(C)C)ccc1-n1cnnn1
InChIInChI=1S/C13H19N5/c1-9(2)11(4)15-12-5-6-13(10(3)7-12)18-8-14-16-17-18/h5-9,11,15H,1-4H3
InChIKeyIYHQLWYMNNRNEB-UHFFFAOYSA-N
XLogP2.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-3-methyl-4-(tetrazol-1-yl)aniline
CID 63085305
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide
CID 64992502
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338038
N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732890
3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline
CID 43732867
N-[3-methyl-4-(tetrazol-1-yl)phenyl]but-2-enamide
CID 112725296
N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 858850
2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 62847424
3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 107235182

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline?
The IUPAC name of 3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline (CID 43732899) is 3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for 3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline?
The canonical SMILES for 3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline is Cc1cc(NC(C)C(C)C)ccc1-n1cnnn1.
What is the InChIKey of 3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline?
The InChIKey is IYHQLWYMNNRNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9(2)11(4)15-12-5-6-13(10(3)7-12)18-8-14-16-17-18/h5-9,11,15H,1-4H3.
What are the key properties of 3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline?
3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline has a molecular weight of 245.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43732899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).