4-tert-butylmorpholine;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butyl-1,2,4-triazole;2,2-dimethylpropane;piperidine

C39H80N8O2 — CID 158982796

IUPAC4-tert-butylmorpholine;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butyl-1,2,4-triazole;2,2-dimethylpropane;piperidine
SMILESC1CCNCC1.CC(C)(C)C.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1cocn1.CC(C)(C)n1cncn1
InChIInChI=1S/C8H18N2.C8H17NO.C7H11NO.C6H11N3.C5H11N.C5H12/c1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2,3)6-4-9-5-8-6;1-6(2,3)9-5-7-4-8-9;1-2-4-6-5-3-1;1-5(2,3)4/h9H,4-7H2,1-3H3;4-7H2,1-3H3;2*4-5H,1-3H3;6H,1-5H2;1-4H3
InChIKeyJPFDEXMIHLMKJM-UHFFFAOYSA-N
MW693.12 g/mol
LogP7.62
Rot. Bonds

About 4-tert-butylmorpholine;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butyl-1,2,4-triazole;2,2-dimethylpropane;piperidine

4-tert-butylmorpholine;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butyl-1,2,4-triazole;2,2-dimethylpropane;piperidine (PubChem CID 158982796) has the molecular formula C39H80N8O2 and a molecular weight of 693.12 g/mol. Its IUPAC name is 4-tert-butylmorpholine;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butyl-1,2,4-triazole;2,2-dimethylpropane;piperidine.

Molecular Properties

Compound Name4-tert-butylmorpholine;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butyl-1,2,4-triazole;2,2-dimethylpropane;piperidine
PubChem CID158982796
Molecular FormulaC39H80N8O2
Molecular Weight693.12 g/mol
Exact Mass692.64
IUPAC Name4-tert-butylmorpholine;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butyl-1,2,4-triazole;2,2-dimethylpropane;piperidine
SMILESC1CCNCC1.CC(C)(C)C.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1cocn1.CC(C)(C)n1cncn1
InChIInChI=1S/C8H18N2.C8H17NO.C7H11NO.C6H11N3.C5H11N.C5H12/c1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2,3)6-4-9-5-8-6;1-6(2,3)9-5-7-4-8-9;1-2-4-6-5-3-1;1-5(2,3)4/h9H,4-7H2,1-3H3;4-7H2,1-3H3;2*4-5H,1-3H3;6H,1-5H2;1-4H3
InChIKeyJPFDEXMIHLMKJM-UHFFFAOYSA-N
XLogP7.62
TPSA96.51 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.12
LogP ≤ 57.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-tert-butylmorpholine;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butyl-1,2,4-triazole;2,2-dimethylpropane;piperidine with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine
CID 167711210
1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
CID 158347014
1-tert-butyl-1,4,8,11-tetrazacyclotetradecane
CID 155077597
1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole
CID 161434506
1-tert-butylpiperazine;ethane;methane
CID 161367706
1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane
CID 157094866
2,2-dimethylpropane;piperidine
CID 158818588
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine
CID 157270913
4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane
CID 158521892
4-tert-butylmorpholine;2-methoxy-2-methylpropane
CID 159275308
2-(1,3-oxazol-4-yl)propan-2-ylastatine
CID 143140975
4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline
CID 112713222

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylmorpholine;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butyl-1,2,4-triazole;2,2-dimethylpropane;piperidine?
The IUPAC name of 4-tert-butylmorpholine;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butyl-1,2,4-triazole;2,2-dimethylpropane;piperidine (CID 158982796) is 4-tert-butylmorpholine;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butyl-1,2,4-triazole;2,2-dimethylpropane;piperidine.
What is the SMILES notation for 4-tert-butylmorpholine;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butyl-1,2,4-triazole;2,2-dimethylpropane;piperidine?
The canonical SMILES for 4-tert-butylmorpholine;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butyl-1,2,4-triazole;2,2-dimethylpropane;piperidine is C1CCNCC1.CC(C)(C)C.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1cocn1.CC(C)(C)n1cncn1.
What is the InChIKey of 4-tert-butylmorpholine;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butyl-1,2,4-triazole;2,2-dimethylpropane;piperidine?
The InChIKey is JPFDEXMIHLMKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C8H17NO.C7H11NO.C6H11N3.C5H11N.C5H12/c1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2,3)6-4-9-5-8-6;1-6(2,3)9-5-7-4-8-9;1-2-4-6-5-3-1;1-5(2,3)4/h9H,4-7H2,1-3H3;4-7H2,1-3H3;2*4-5H,1-3H3;6H,1-5H2;1-4H3.
What are the key properties of 4-tert-butylmorpholine;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butyl-1,2,4-triazole;2,2-dimethylpropane;piperidine?
4-tert-butylmorpholine;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butyl-1,2,4-triazole;2,2-dimethylpropane;piperidine has a molecular weight of 693.12 g/mol, XLogP of 7.62, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylmorpholine;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butyl-1,2,4-triazole;2,2-dimethylpropane;piperidine is sourced from PubChem (CID 158982796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).