1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine

C17H34N2 — CID 170019635

IUPAC1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine
SMILESCC(C)(C)C1CN(C(C)(C)C2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C17H34N2/c1-15(2,3)13-9-19(10-13)17(7,8)14-11-18(12-14)16(4,5)6/h13-14H,9-12H2,1-8H3
InChIKeyHOMFIFBZBVSJGV-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.47
Rot. Bonds2

About 1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine

1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine (PubChem CID 170019635) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine
PubChem CID170019635
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine
SMILESCC(C)(C)C1CN(C(C)(C)C2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C17H34N2/c1-15(2,3)13-9-19(10-13)17(7,8)14-11-18(12-14)16(4,5)6/h13-14H,9-12H2,1-8H3
InChIKeyHOMFIFBZBVSJGV-UHFFFAOYSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,5-tritert-butylpiperidine
CID 118013533
2-tert-butyl-5-(3-tert-butylazetidin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166559649
1,3-ditert-butylpiperidine;methane
CID 157116364
(3R)-1-tert-butyl-3-methylcyclopentane;1,3-ditert-butylazetidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;ethane
CID 165073914
1-tert-butylpyrrolidine-3,4-diamine
CID 89335821
3-tert-butyl-1-[5-(1-tert-butylazetidin-3-yl)-2,5-dimethylhexan-2-yl]pyrrolidine
CID 126725527
1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;methane
CID 159756767
1-tert-butyl-3-(4-tert-butylcyclohexyl)sulfonylazetidine
CID 153186036
1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 165100869
1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine
CID 153470715
1-tert-butylazetidine-3-thiol;methane
CID 157446837
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine?
The IUPAC name of 1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine (CID 170019635) is 1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine.
What is the SMILES notation for 1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine?
The canonical SMILES for 1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine is CC(C)(C)C1CN(C(C)(C)C2CN(C(C)(C)C)C2)C1.
What is the InChIKey of 1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine?
The InChIKey is HOMFIFBZBVSJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-15(2,3)13-9-19(10-13)17(7,8)14-11-18(12-14)16(4,5)6/h13-14H,9-12H2,1-8H3.
What are the key properties of 1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine?
1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine has a molecular weight of 266.47 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine is sourced from PubChem (CID 170019635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).