3-tert-butyl-1-propylazetidine

C10H21N — CID 134337419

IUPAC3-tert-butyl-1-propylazetidine
SMILESCCCN1CC(C(C)(C)C)C1
InChIInChI=1S/C10H21N/c1-5-6-11-7-9(8-11)10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyDDIUESJTKKUHRS-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.37
Rot. Bonds2

About 3-tert-butyl-1-propylazetidine

3-tert-butyl-1-propylazetidine (PubChem CID 134337419) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 3-tert-butyl-1-propylazetidine.

Molecular Properties

Compound Name3-tert-butyl-1-propylazetidine
PubChem CID134337419
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name3-tert-butyl-1-propylazetidine
SMILESCCCN1CC(C(C)(C)C)C1
InChIInChI=1S/C10H21N/c1-5-6-11-7-9(8-11)10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyDDIUESJTKKUHRS-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-1-heptylazetidine
CID 157310046
3-tert-butyl-1-(3,3-dimethylbutyl)azetidine
CID 138460802
3-tert-butyl-1-(3-methylbutyl)azetidine
CID 164785382
5-(3-tert-butylazetidin-1-yl)pentan-1-ol
CID 107319643
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine
CID 79677755
5,6-ditert-butyl-1-methyl-3-propyl-1,3-diazepane
CID 59036725
(1R,5R)-3-propyl-3-azabicyclo[3.1.1]heptan-6-one
CID 98070002
(1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one
CID 98070007
2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185272
5-tert-butyl-2-methyl-1-propylpiperidine
CID 167284052
3-tert-butyl-1-(2,3-dimethylbutyl)azetidine
CID 167253658

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-propylazetidine?
The IUPAC name of 3-tert-butyl-1-propylazetidine (CID 134337419) is 3-tert-butyl-1-propylazetidine.
What is the SMILES notation for 3-tert-butyl-1-propylazetidine?
The canonical SMILES for 3-tert-butyl-1-propylazetidine is CCCN1CC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-propylazetidine?
The InChIKey is DDIUESJTKKUHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-6-11-7-9(8-11)10(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-1-propylazetidine?
3-tert-butyl-1-propylazetidine has a molecular weight of 155.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-propylazetidine is sourced from PubChem (CID 134337419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).