1-[(4R)-octan-4-yl]azetidine

C11H23N — CID 170061956

IUPAC1-[(4R)-octan-4-yl]azetidine
SMILESCCCC[C@@H](CCC)N1CCC1
InChIInChI=1S/C11H23N/c1-3-5-8-11(7-4-2)12-9-6-10-12/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyVGQIHHXRFOYCAD-LLVKDONJSA-N
MW169.31 g/mol
LogP3.05
Rot. Bonds6

About 1-[(4R)-octan-4-yl]azetidine

1-[(4R)-octan-4-yl]azetidine (PubChem CID 170061956) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-[(4R)-octan-4-yl]azetidine.

Molecular Properties

Compound Name1-[(4R)-octan-4-yl]azetidine
PubChem CID170061956
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1-[(4R)-octan-4-yl]azetidine
SMILESCCCC[C@@H](CCC)N1CCC1
InChIInChI=1S/C11H23N/c1-3-5-8-11(7-4-2)12-9-6-10-12/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyVGQIHHXRFOYCAD-LLVKDONJSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-octan-4-ylazonane
CID 123427772
methane;1-octan-4-ylpiperidine
CID 143122058
1-heptan-3-ylazetidine
CID 172721722
1-decan-4-ylpiperidine
CID 142178259
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
1-octadecan-4-ylaziridine
CID 87223215
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
1-[5,9-bis(azacyclododec-1-yl)-1-[4-(azacyclododec-1-yl)heptyl]nonyl]-azacyclododecane
CID 174384142
7-octan-4-yl-1,7-diazaspiro[3.5]nonane
CID 134177848
1-octan-4-yl-3,6-dihydro-2H-pyridine
CID 90965036

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-octan-4-yl]azetidine?
The IUPAC name of 1-[(4R)-octan-4-yl]azetidine (CID 170061956) is 1-[(4R)-octan-4-yl]azetidine.
What is the SMILES notation for 1-[(4R)-octan-4-yl]azetidine?
The canonical SMILES for 1-[(4R)-octan-4-yl]azetidine is CCCC[C@@H](CCC)N1CCC1.
What is the InChIKey of 1-[(4R)-octan-4-yl]azetidine?
The InChIKey is VGQIHHXRFOYCAD-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23N/c1-3-5-8-11(7-4-2)12-9-6-10-12/h11H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-[(4R)-octan-4-yl]azetidine?
1-[(4R)-octan-4-yl]azetidine has a molecular weight of 169.31 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-octan-4-yl]azetidine is sourced from PubChem (CID 170061956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).