4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine

C13H25N5O — CID 1438536

IUPAC4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine
SMILESCC(C)[C@@H](c1nnnn1C(C)(C)C)N1CCOCC1
InChIInChI=1S/C13H25N5O/c1-10(2)11(17-6-8-19-9-7-17)12-14-15-16-18(12)13(3,4)5/h10-11H,6-9H2,1-5H3/t11-/m0/s1
InChIKeyHWWNQRKZVZGRQZ-NSHDSACASA-N
MW267.38 g/mol
LogP1.46
Rot. Bonds3

About 4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine

4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine (PubChem CID 1438536) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine.

Molecular Properties

Compound Name4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine
PubChem CID1438536
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine
SMILESCC(C)[C@@H](c1nnnn1C(C)(C)C)N1CCOCC1
InChIInChI=1S/C13H25N5O/c1-10(2)11(17-6-8-19-9-7-17)12-14-15-16-18(12)13(3,4)5/h10-11H,6-9H2,1-5H3/t11-/m0/s1
InChIKeyHWWNQRKZVZGRQZ-NSHDSACASA-N
XLogP1.46
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine
CID 3193641
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine
CID 1431560
1-[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]azepane
CID 1432588
4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine
CID 1428697
[4-[(1R)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1431058
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(2-methoxyphenyl)piperazine
CID 1443747
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(5-chloro-2-methylphenyl)piperazine
CID 1443737
4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]morpholine
CID 3823345
1-[1-(1-tert-butyltetrazol-5-yl)ethyl]-4-methylpiperazine;hydrochloride
CID 171667964
4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine
CID 53300936
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-methylpiperazine
CID 860703
4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine
CID 1430991

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine?
The IUPAC name of 4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine (CID 1438536) is 4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine.
What is the SMILES notation for 4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine?
The canonical SMILES for 4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine is CC(C)[C@@H](c1nnnn1C(C)(C)C)N1CCOCC1.
What is the InChIKey of 4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine?
The InChIKey is HWWNQRKZVZGRQZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N5O/c1-10(2)11(17-6-8-19-9-7-17)12-14-15-16-18(12)13(3,4)5/h10-11H,6-9H2,1-5H3/t11-/m0/s1.
What are the key properties of 4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine?
4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine has a molecular weight of 267.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]morpholine is sourced from PubChem (CID 1438536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).