[(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium

C16H26N5+ — CID 7073073

IUPAC[(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium
SMILESCc1cccc(C)c1-n1nnnc1[C@@H](CC(C)C)[NH+](C)C
InChIInChI=1S/C16H25N5/c1-11(2)10-14(20(5)6)16-17-18-19-21(16)15-12(3)8-7-9-13(15)4/h7-9,11,14H,10H2,1-6H3/p+1/t14-/m1/s1
InChIKeyZKZFVZHSVUUKKF-CQSZACIVSA-O
MW288.42 g/mol
LogP1.51
Rot. Bonds5

About [(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium

[(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium (PubChem CID 7073073) has the molecular formula C16H26N5+ and a molecular weight of 288.42 g/mol. Its IUPAC name is [(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium
PubChem CID7073073
Molecular FormulaC16H26N5+
Molecular Weight288.42 g/mol
Exact Mass288.22
IUPAC Name[(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium
SMILESCc1cccc(C)c1-n1nnnc1[C@@H](CC(C)C)[NH+](C)C
InChIInChI=1S/C16H25N5/c1-11(2)10-14(20(5)6)16-17-18-19-21(16)15-12(3)8-7-9-13(15)4/h7-9,11,14H,10H2,1-6H3/p+1/t14-/m1/s1
InChIKeyZKZFVZHSVUUKKF-CQSZACIVSA-O
XLogP1.51
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine
CID 3840584
dibenzyl-[(1S)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-methylpropyl]azanium
CID 7073477
[1-(2,6-dimethylphenyl)tetrazol-5-yl]methanamine
CID 62736812
N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084748
1-(2,6-dimethylphenyl)-5-propan-2-ylsulfanyltetrazole
CID 47110053
4-[dimethylamino-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N,N-dimethylaniline
CID 4610695
4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine
CID 30104890
1-(2,6-dimethylphenyl)-5-methylsulfanyltetrazole
CID 576491
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanenitrile
CID 51184736
3-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 111463888
(2R,3R)-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95345368
(2S,3R)-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95345367

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium?
The IUPAC name of [(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium (CID 7073073) is [(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium.
What is the SMILES notation for [(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium?
The canonical SMILES for [(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium is Cc1cccc(C)c1-n1nnnc1[C@@H](CC(C)C)[NH+](C)C.
What is the InChIKey of [(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium?
The InChIKey is ZKZFVZHSVUUKKF-CQSZACIVSA-O. The full InChI is InChI=1S/C16H25N5/c1-11(2)10-14(20(5)6)16-17-18-19-21(16)15-12(3)8-7-9-13(15)4/h7-9,11,14H,10H2,1-6H3/p+1/t14-/m1/s1.
What are the key properties of [(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium?
[(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium has a molecular weight of 288.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium is sourced from PubChem (CID 7073073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).