4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine

C34H72N4O — CID 167566167

IUPAC4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)CN1CCCCC1
InChIInChI=1S/2C9H19N.C8H17NO.C8H17N/c1-9(2,3)10-7-5-4-6-8-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h4-8H2,1-3H3;9H,3-8H2,1-2H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyFHUANOWPOHIFTF-UHFFFAOYSA-N
MW552.98 g/mol
LogP7.40
Rot. Bonds2

About 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine

4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine (PubChem CID 167566167) has the molecular formula C34H72N4O and a molecular weight of 552.98 g/mol. Its IUPAC name is 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine
PubChem CID167566167
Molecular FormulaC34H72N4O
Molecular Weight552.98 g/mol
Exact Mass552.57
IUPAC Name4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)CN1CCCCC1
InChIInChI=1S/2C9H19N.C8H17NO.C8H17N/c1-9(2,3)10-7-5-4-6-8-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h4-8H2,1-3H3;9H,3-8H2,1-2H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyFHUANOWPOHIFTF-UHFFFAOYSA-N
XLogP7.40
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.98
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane
CID 157094866
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane
CID 158521892
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine
CID 157270913
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 91228276
butane;4-(2-methylpropyl)morpholine
CID 155751822
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine
CID 161159887
methane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine
CID 158580646
1-tert-butyl-3-(2-methylpropyl)imidazolidine
CID 130368535

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine?
The IUPAC name of 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine (CID 167566167) is 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine?
The canonical SMILES for 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine is CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)CN1CCCCC1.
What is the InChIKey of 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine?
The InChIKey is FHUANOWPOHIFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19N.C8H17NO.C8H17N/c1-9(2,3)10-7-5-4-6-8-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h4-8H2,1-3H3;9H,3-8H2,1-2H3;4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine?
4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine has a molecular weight of 552.98 g/mol, XLogP of 7.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-(2-methylpropyl)piperidine is sourced from PubChem (CID 167566167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).