3-decyl-3-ethylazetidine

C15H31N — CID 79451957

IUPAC3-decyl-3-ethylazetidine
SMILESCCCCCCCCCCC1(CC)CNC1
InChIInChI=1S/C15H31N/c1-3-5-6-7-8-9-10-11-12-15(4-2)13-16-14-15/h16H,3-14H2,1-2H3
InChIKeyHARCBNKUBNONKG-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.52
Rot. Bonds10

About 3-decyl-3-ethylazetidine

3-decyl-3-ethylazetidine (PubChem CID 79451957) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 3-decyl-3-ethylazetidine.

Molecular Properties

Compound Name3-decyl-3-ethylazetidine
PubChem CID79451957
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name3-decyl-3-ethylazetidine
SMILESCCCCCCCCCCC1(CC)CNC1
InChIInChI=1S/C15H31N/c1-3-5-6-7-8-9-10-11-12-15(4-2)13-16-14-15/h16H,3-14H2,1-2H3
InChIKeyHARCBNKUBNONKG-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.52
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

3,6-diethyl-3-hexyl-6-pentylazepane
CID 59903813
ethane;1-ethyl-1-hexylcyclopropane
CID 143025428
3-benzyl-3-nonylazetidine
CID 79451822
3,3-diethylazetidine;hydrochloride
CID 119032125
3-(2-ethoxyethyl)-3-ethylazetidine
CID 79451036
1,1-dihexadecylcyclopentane
CID 141255150
1,1-dioctylcyclopentane
CID 54295272
1,1-di(nonyl)cyclopentane
CID 154318487
3-(2-butoxyethyl)-3-propylazetidine
CID 79452561
2-hexyl-1,2-dimethylpiperazine
CID 145382864
1-hexyl-1,2,2-trimethylcyclopropane
CID 123520586
1,1-dipentylcyclononane
CID 169026027

Frequently Asked Questions

What is the IUPAC name of 3-decyl-3-ethylazetidine?
The IUPAC name of 3-decyl-3-ethylazetidine (CID 79451957) is 3-decyl-3-ethylazetidine.
What is the SMILES notation for 3-decyl-3-ethylazetidine?
The canonical SMILES for 3-decyl-3-ethylazetidine is CCCCCCCCCCC1(CC)CNC1.
What is the InChIKey of 3-decyl-3-ethylazetidine?
The InChIKey is HARCBNKUBNONKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-3-5-6-7-8-9-10-11-12-15(4-2)13-16-14-15/h16H,3-14H2,1-2H3.
What are the key properties of 3-decyl-3-ethylazetidine?
3-decyl-3-ethylazetidine has a molecular weight of 225.42 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-3-ethylazetidine is sourced from PubChem (CID 79451957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).