3-benzyl-3-butylazetidine

C14H21N — CID 79451820

IUPAC3-benzyl-3-butylazetidine
SMILESCCCCC1(Cc2ccccc2)CNC1
InChIInChI=1S/C14H21N/c1-2-3-9-14(11-15-12-14)10-13-7-5-4-6-8-13/h4-8,15H,2-3,9-12H2,1H3
InChIKeyRJBFZHXXNAYAQK-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.01
Rot. Bonds5

About 3-benzyl-3-butylazetidine

3-benzyl-3-butylazetidine (PubChem CID 79451820) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-benzyl-3-butylazetidine.

Molecular Properties

Compound Name3-benzyl-3-butylazetidine
PubChem CID79451820
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-benzyl-3-butylazetidine
SMILESCCCCC1(Cc2ccccc2)CNC1
InChIInChI=1S/C14H21N/c1-2-3-9-14(11-15-12-14)10-13-7-5-4-6-8-13/h4-8,15H,2-3,9-12H2,1H3
InChIKeyRJBFZHXXNAYAQK-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-3-nonylazetidine
CID 79451822
3-[(4-methylphenyl)methyl]-3-propylazetidine
CID 79451840
(1-octylcyclohexyl)methylbenzene
CID 90738886
3-benzyl-3-[2-(2-methylpropoxy)ethyl]azetidine
CID 106459851
3-benzyl-3-[(4-chlorophenyl)methyl]azetidine
CID 79451717
3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine
CID 79452012
5-[2-(3-benzylazetidin-3-yl)ethyl]-4-methyl-1,3-thiazole
CID 79452431
3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine
CID 114935042
3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine
CID 79451201
3-[(3,4-dichlorophenyl)methyl]-3-propylazetidine
CID 79451841
(3-benzylpyrrolidin-3-yl)methanamine
CID 142188778
3-benzyl-3-[(2-chloro-4-methylphenyl)methyl]azetidine
CID 106870811

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-butylazetidine?
The IUPAC name of 3-benzyl-3-butylazetidine (CID 79451820) is 3-benzyl-3-butylazetidine.
What is the SMILES notation for 3-benzyl-3-butylazetidine?
The canonical SMILES for 3-benzyl-3-butylazetidine is CCCCC1(Cc2ccccc2)CNC1.
What is the InChIKey of 3-benzyl-3-butylazetidine?
The InChIKey is RJBFZHXXNAYAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-9-14(11-15-12-14)10-13-7-5-4-6-8-13/h4-8,15H,2-3,9-12H2,1H3.
What are the key properties of 3-benzyl-3-butylazetidine?
3-benzyl-3-butylazetidine has a molecular weight of 203.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-butylazetidine is sourced from PubChem (CID 79451820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).