3-hexylazetidine

C9H19N — CID 79452100

IUPAC3-hexylazetidine
SMILESCCCCCCC1CNC1
InChIInChI=1S/C9H19N/c1-2-3-4-5-6-9-7-10-8-9/h9-10H,2-8H2,1H3
InChIKeyXUPGDPKGHVGJEB-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.18
Rot. Bonds5

About 3-hexylazetidine

3-hexylazetidine (PubChem CID 79452100) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3-hexylazetidine.

Molecular Properties

Compound Name3-hexylazetidine
PubChem CID79452100
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3-hexylazetidine
SMILESCCCCCCC1CNC1
InChIInChI=1S/C9H19N/c1-2-3-4-5-6-9-7-10-8-9/h9-10H,2-8H2,1H3
InChIKeyXUPGDPKGHVGJEB-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.18
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-butylazetidine
CID 20827268
15-hexadecyl-1,4,7,10,13-pentazacyclohexadecane
CID 14178837
(3S)-3-pentylpyrrolidine
CID 10261191
(3S)-3-heptylpiperidine
CID 155456188
4-hexadecylpiperidine
CID 54096875
1,4-dihexylcyclohexane
CID 22947938
tetradecane;undecylcyclopropane
CID 173215670
octadecane;pentadecylcyclopropane
CID 173301851
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
6-heptyl-1,4-oxazepane
CID 155363719
4-heptylpiperidine;methane
CID 144690559
3-butyl-5-ethylpiperidine
CID 177138974

Frequently Asked Questions

What is the IUPAC name of 3-hexylazetidine?
The IUPAC name of 3-hexylazetidine (CID 79452100) is 3-hexylazetidine.
What is the SMILES notation for 3-hexylazetidine?
The canonical SMILES for 3-hexylazetidine is CCCCCCC1CNC1.
What is the InChIKey of 3-hexylazetidine?
The InChIKey is XUPGDPKGHVGJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-2-3-4-5-6-9-7-10-8-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-hexylazetidine?
3-hexylazetidine has a molecular weight of 141.26 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexylazetidine is sourced from PubChem (CID 79452100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).