1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine

C33H69FN4 — CID 159358501

IUPAC1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC1(F)CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1
InChIInChI=1S/C9H19N.C8H16FN.2C8H17N/c1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-7-5-9(6-7)8(2,3)4;1-8(2,3)9-6-4-5-7-9/h4-8H2,1-3H3;5-6H2,1-4H3;7H,5-6H2,1-4H3;4-7H2,1-3H3
InChIKeyLIFPRHYLIQVUQP-UHFFFAOYSA-N
MW540.94 g/mol
LogP7.72
Rot. Bonds

About 1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine

1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (PubChem CID 159358501) has the molecular formula C33H69FN4 and a molecular weight of 540.94 g/mol. Its IUPAC name is 1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
PubChem CID159358501
Molecular FormulaC33H69FN4
Molecular Weight540.94 g/mol
Exact Mass540.55
IUPAC Name1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC1(F)CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1
InChIInChI=1S/C9H19N.C8H16FN.2C8H17N/c1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-7-5-9(6-7)8(2,3)4;1-8(2,3)9-6-4-5-7-9/h4-8H2,1-3H3;5-6H2,1-4H3;7H,5-6H2,1-4H3;4-7H2,1-3H3
InChIKeyLIFPRHYLIQVUQP-UHFFFAOYSA-N
XLogP7.72
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.94
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
CID 159249163
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-tert-butylazetidine;1-tert-butyl-3,3-dimethylazetidine;1-tert-butyl-2-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one
CID 159884464
1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane
CID 159819553
1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine
CID 157050293
1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine
CID 158207232
2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine
CID 159767975
2-tert-butyl-9-methyl-2-azaspiro[5.5]undecane
CID 134582203
1,4-ditert-butyl-5,5,7-trimethyl-1,4-diazocane
CID 138627615
1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane
CID 158280327

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The IUPAC name of 1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (CID 159358501) is 1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The canonical SMILES for 1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine is CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC1(F)CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The InChIKey is LIFPRHYLIQVUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H16FN.2C8H17N/c1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-7-5-9(6-7)8(2,3)4;1-8(2,3)9-6-4-5-7-9/h4-8H2,1-3H3;5-6H2,1-4H3;7H,5-6H2,1-4H3;4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine has a molecular weight of 540.94 g/mol, XLogP of 7.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine is sourced from PubChem (CID 159358501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).