4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine

C46H98N6O2 — CID 157437836

IUPAC4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC1CN(C(C)(C)C)CC(C)O1.CN(C)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H24N2.C10H21NO.C9H19N.C8H17NO.C8H17N/c1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-8-6-11(10(3,4)5)7-9(2)12-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h10H,6-9H2,1-5H3;8-9H,6-7H2,1-5H3;4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyBRHWWVSKBPVRET-UHFFFAOYSA-N
MW767.33 g/mol
LogP8.97
Rot. Bonds1

About 4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine

4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (PubChem CID 157437836) has the molecular formula C46H98N6O2 and a molecular weight of 767.33 g/mol. Its IUPAC name is 4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.

Molecular Properties

Compound Name4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
PubChem CID157437836
Molecular FormulaC46H98N6O2
Molecular Weight767.33 g/mol
Exact Mass766.78
IUPAC Name4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC1CN(C(C)(C)C)CC(C)O1.CN(C)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H24N2.C10H21NO.C9H19N.C8H17NO.C8H17N/c1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-8-6-11(10(3,4)5)7-9(2)12-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h10H,6-9H2,1-5H3;8-9H,6-7H2,1-5H3;4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyBRHWWVSKBPVRET-UHFFFAOYSA-N
XLogP8.97
TPSA37.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.33
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The IUPAC name of 4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (CID 157437836) is 4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.
What is the SMILES notation for 4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The canonical SMILES for 4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine is CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC1CN(C(C)(C)C)CC(C)O1.CN(C)C1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The InChIKey is BRHWWVSKBPVRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.C10H21NO.C9H19N.C8H17NO.C8H17N/c1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-8-6-11(10(3,4)5)7-9(2)12-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h10H,6-9H2,1-5H3;8-9H,6-7H2,1-5H3;4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine has a molecular weight of 767.33 g/mol, XLogP of 8.97, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine is sourced from PubChem (CID 157437836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).