4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine

C17H25N5O — CID 51695117

IUPAC4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine
SMILESCC[C@@](C)(c1nnnn1-c1c(C)cccc1C)N1CCOCC1
InChIInChI=1S/C17H25N5O/c1-5-17(4,21-9-11-23-12-10-21)16-18-19-20-22(16)15-13(2)7-6-8-14(15)3/h6-8H,5,9-12H2,1-4H3/t17-/m0/s1
InChIKeyFTESTVHPDSPNHK-KRWDZBQOSA-N
MW315.42 g/mol
LogP2.24
Rot. Bonds4

About 4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine

4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine (PubChem CID 51695117) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine.

Molecular Properties

Compound Name4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine
PubChem CID51695117
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine
SMILESCC[C@@](C)(c1nnnn1-c1c(C)cccc1C)N1CCOCC1
InChIInChI=1S/C17H25N5O/c1-5-17(4,21-9-11-23-12-10-21)16-18-19-20-22(16)15-13(2)7-6-8-14(15)3/h6-8H,5,9-12H2,1-4H3/t17-/m0/s1
InChIKeyFTESTVHPDSPNHK-KRWDZBQOSA-N
XLogP2.24
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine
CID 94086648
4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine
CID 51698124
(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine
CID 7345033
4-chloro-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]aniline
CID 4312416
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8917085
4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine
CID 3840584
N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide
CID 7335945
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
N,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine
CID 3115374
[1-(2,6-dimethylphenyl)tetrazol-5-yl]methanamine
CID 62736812
N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-4-ethoxyaniline
CID 3559515

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine?
The IUPAC name of 4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine (CID 51695117) is 4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine.
What is the SMILES notation for 4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine?
The canonical SMILES for 4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine is CC[C@@](C)(c1nnnn1-c1c(C)cccc1C)N1CCOCC1.
What is the InChIKey of 4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine?
The InChIKey is FTESTVHPDSPNHK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25N5O/c1-5-17(4,21-9-11-23-12-10-21)16-18-19-20-22(16)15-13(2)7-6-8-14(15)3/h6-8H,5,9-12H2,1-4H3/t17-/m0/s1.
What are the key properties of 4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine?
4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine has a molecular weight of 315.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine is sourced from PubChem (CID 51695117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).