(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine

C15H23N5 — CID 7345033

IUPAC(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine
SMILESCC[C@@](C)(c1nnnn1-c1c(C)cccc1C)N(C)C
InChIInChI=1S/C15H23N5/c1-7-15(4,19(5)6)14-16-17-18-20(14)13-11(2)9-8-10-12(13)3/h8-10H,7H2,1-6H3/t15-/m0/s1
InChIKeyCMUBXAWSTHAQDQ-HNNXBMFYSA-N
MW273.38 g/mol
LogP2.47
Rot. Bonds4

About (2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine

(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine (PubChem CID 7345033) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine.

Molecular Properties

Compound Name(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine
PubChem CID7345033
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine
SMILESCC[C@@](C)(c1nnnn1-c1c(C)cccc1C)N(C)C
InChIInChI=1S/C15H23N5/c1-7-15(4,19(5)6)14-16-17-18-20(14)13-11(2)9-8-10-12(13)3/h8-10H,7H2,1-6H3/t15-/m0/s1
InChIKeyCMUBXAWSTHAQDQ-HNNXBMFYSA-N
XLogP2.47
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide
CID 7335945
N,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine
CID 3115374
4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine
CID 51695117
N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide
CID 99641717
4-bromo-N-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]aniline
CID 98384187
4-chloro-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]aniline
CID 4312416
2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide
CID 171981923
N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-4-ethoxyaniline
CID 3559515
[1-(2,6-dimethylphenyl)tetrazol-5-yl]methanamine
CID 62736812
ethyl 5-[[[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]amino]methyl]furan-2-carboxylate
CID 7291012
N-[(2S)-2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]-2-methoxyaniline
CID 51697986
1-(2,6-dimethylphenyl)-5-methylsulfanyltetrazole
CID 576491

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine?
The IUPAC name of (2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine (CID 7345033) is (2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine.
What is the SMILES notation for (2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine?
The canonical SMILES for (2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine is CC[C@@](C)(c1nnnn1-c1c(C)cccc1C)N(C)C.
What is the InChIKey of (2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine?
The InChIKey is CMUBXAWSTHAQDQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N5/c1-7-15(4,19(5)6)14-16-17-18-20(14)13-11(2)9-8-10-12(13)3/h8-10H,7H2,1-6H3/t15-/m0/s1.
What are the key properties of (2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine?
(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine is sourced from PubChem (CID 7345033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).