1-octylazonane

C16H33N — CID 20533821

IUPAC1-octylazonane
SMILESCCCCCCCCN1CCCCCCCC1
InChIInChI=1S/C16H33N/c1-2-3-4-5-8-11-14-17-15-12-9-6-7-10-13-16-17/h2-16H2,1H3
InChIKeyGETHWJPCUVMUEZ-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.00
Rot. Bonds7

About 1-octylazonane

1-octylazonane (PubChem CID 20533821) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-octylazonane.

Molecular Properties

Compound Name1-octylazonane
PubChem CID20533821
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-octylazonane
SMILESCCCCCCCCN1CCCCCCCC1
InChIInChI=1S/C16H33N/c1-2-3-4-5-8-11-14-17-15-12-9-6-7-10-13-16-17/h2-16H2,1H3
InChIKeyGETHWJPCUVMUEZ-UHFFFAOYSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 4649960
1-dodecylazepane
CID 3366129
1-tetradecylpiperidine;hydrochloride
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CID 162323144
CID 162323144
ethane;1-nonylpiperidine
CID 177011009
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
1-heptylazetidine
CID 134402356
1-tridecylpiperidine tetrafluoroborate
CID 174702126
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
acetic acid;1-nonylpiperidine
CID 175874764
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116

Frequently Asked Questions

What is the IUPAC name of 1-octylazonane?
The IUPAC name of 1-octylazonane (CID 20533821) is 1-octylazonane.
What is the SMILES notation for 1-octylazonane?
The canonical SMILES for 1-octylazonane is CCCCCCCCN1CCCCCCCC1.
What is the InChIKey of 1-octylazonane?
The InChIKey is GETHWJPCUVMUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-2-3-4-5-8-11-14-17-15-12-9-6-7-10-13-16-17/h2-16H2,1H3.
What are the key properties of 1-octylazonane?
1-octylazonane has a molecular weight of 239.45 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octylazonane is sourced from PubChem (CID 20533821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).