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

C16H23N5 — CID 106662117

IUPAC3-methyl-4-(tetrazol-1-yl)-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCc1cc(NC2CC(C)(C)CC2C)ccc1-n1cnnn1
InChIInChI=1S/C16H23N5/c1-11-7-13(5-6-15(11)21-10-17-19-20-21)18-14-9-16(3,4)8-12(14)2/h5-7,10,12,14,18H,8-9H2,1-4H3
InChIKeyQTGALDKVVVGQHA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.21
Rot. Bonds3

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

3-methyl-4-(tetrazol-1-yl)-N-(2,4,4-trimethylcyclopentyl)aniline (PubChem CID 106662117) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-methyl-4-(tetrazol-1-yl)-N-(2,4,4-trimethylcyclopentyl)aniline.

Molecular Properties

Compound Name3-methyl-4-(tetrazol-1-yl)-N-(2,4,4-trimethylcyclopentyl)aniline
PubChem CID106662117
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name3-methyl-4-(tetrazol-1-yl)-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCc1cc(NC2CC(C)(C)CC2C)ccc1-n1cnnn1
InChIInChI=1S/C16H23N5/c1-11-7-13(5-6-15(11)21-10-17-19-20-21)18-14-9-16(3,4)8-12(14)2/h5-7,10,12,14,18H,8-9H2,1-4H3
InChIKeyQTGALDKVVVGQHA-UHFFFAOYSA-N
XLogP3.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylcyclohexyl)-3-methyl-4-(tetrazol-1-yl)aniline
CID 79835127
4,4-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]thian-3-amine
CID 79954961
4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline
CID 65044046
N-(2,5-dimethylcyclohexyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 64760852
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
3-iodo-4-methyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662008
3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 107235182
5,5-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]thian-3-amine
CID 79953796
N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide
CID 64992502
3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline
CID 43732899
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
CID 37224623
N-[(1R,2S)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
CID 37224624

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(tetrazol-1-yl)-N-(2,4,4-trimethylcyclopentyl)aniline?
The IUPAC name of 3-methyl-4-(tetrazol-1-yl)-N-(2,4,4-trimethylcyclopentyl)aniline (CID 106662117) is 3-methyl-4-(tetrazol-1-yl)-N-(2,4,4-trimethylcyclopentyl)aniline.
What is the SMILES notation for 3-methyl-4-(tetrazol-1-yl)-N-(2,4,4-trimethylcyclopentyl)aniline?
The canonical SMILES for 3-methyl-4-(tetrazol-1-yl)-N-(2,4,4-trimethylcyclopentyl)aniline is Cc1cc(NC2CC(C)(C)CC2C)ccc1-n1cnnn1.
What is the InChIKey of 3-methyl-4-(tetrazol-1-yl)-N-(2,4,4-trimethylcyclopentyl)aniline?
The InChIKey is QTGALDKVVVGQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11-7-13(5-6-15(11)21-10-17-19-20-21)18-14-9-16(3,4)8-12(14)2/h5-7,10,12,14,18H,8-9H2,1-4H3.
What are the key properties of 3-methyl-4-(tetrazol-1-yl)-N-(2,4,4-trimethylcyclopentyl)aniline?
3-methyl-4-(tetrazol-1-yl)-N-(2,4,4-trimethylcyclopentyl)aniline has a molecular weight of 285.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(tetrazol-1-yl)-N-(2,4,4-trimethylcyclopentyl)aniline is sourced from PubChem (CID 106662117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).