3-benzyl-3-nonylazetidine

C19H31N — CID 79451822

IUPAC3-benzyl-3-nonylazetidine
SMILESCCCCCCCCCC1(Cc2ccccc2)CNC1
InChIInChI=1S/C19H31N/c1-2-3-4-5-6-7-11-14-19(16-20-17-19)15-18-12-9-8-10-13-18/h8-10,12-13,20H,2-7,11,14-17H2,1H3
InChIKeyLLFNRIHLFZBNCC-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.96
Rot. Bonds10

About 3-benzyl-3-nonylazetidine

3-benzyl-3-nonylazetidine (PubChem CID 79451822) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3-benzyl-3-nonylazetidine.

Molecular Properties

Compound Name3-benzyl-3-nonylazetidine
PubChem CID79451822
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3-benzyl-3-nonylazetidine
SMILESCCCCCCCCCC1(Cc2ccccc2)CNC1
InChIInChI=1S/C19H31N/c1-2-3-4-5-6-7-11-14-19(16-20-17-19)15-18-12-9-8-10-13-18/h8-10,12-13,20H,2-7,11,14-17H2,1H3
InChIKeyLLFNRIHLFZBNCC-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-3-butylazetidine
CID 79451820
(1-octylcyclohexyl)methylbenzene
CID 90738886
3-decyl-3-ethylazetidine
CID 79451957
3-[(4-methylphenyl)methyl]-3-propylazetidine
CID 79451840
3,6-diethyl-3-hexyl-6-pentylazepane
CID 59903813
3-benzyl-3-[(4-chlorophenyl)methyl]azetidine
CID 79451717
3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine
CID 79452012
2-benzyl-2-hexyl-1,3-dioxole
CID 141318556
2-benzyl-2-heptyl-4-methylideneoxetane
CID 102089331
3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine
CID 114935042
5-[2-(3-benzylazetidin-3-yl)ethyl]-4-methyl-1,3-thiazole
CID 79452431
hexakis(decane);ethylbenzene
CID 173398562

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-nonylazetidine?
The IUPAC name of 3-benzyl-3-nonylazetidine (CID 79451822) is 3-benzyl-3-nonylazetidine.
What is the SMILES notation for 3-benzyl-3-nonylazetidine?
The canonical SMILES for 3-benzyl-3-nonylazetidine is CCCCCCCCCC1(Cc2ccccc2)CNC1.
What is the InChIKey of 3-benzyl-3-nonylazetidine?
The InChIKey is LLFNRIHLFZBNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-2-3-4-5-6-7-11-14-19(16-20-17-19)15-18-12-9-8-10-13-18/h8-10,12-13,20H,2-7,11,14-17H2,1H3.
What are the key properties of 3-benzyl-3-nonylazetidine?
3-benzyl-3-nonylazetidine has a molecular weight of 273.46 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-nonylazetidine is sourced from PubChem (CID 79451822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).