1-octan-4-ylazonane

C16H33N — CID 123427772

IUPAC1-octan-4-ylazonane
SMILESCCCCC(CCC)N1CCCCCCCC1
InChIInChI=1S/C16H33N/c1-3-5-13-16(12-4-2)17-14-10-8-6-7-9-11-15-17/h16H,3-15H2,1-2H3
InChIKeyXOJDMFFEUOTBLH-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.00
Rot. Bonds6

About 1-octan-4-ylazonane

1-octan-4-ylazonane (PubChem CID 123427772) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-octan-4-ylazonane.

Molecular Properties

Compound Name1-octan-4-ylazonane
PubChem CID123427772
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-octan-4-ylazonane
SMILESCCCCC(CCC)N1CCCCCCCC1
InChIInChI=1S/C16H33N/c1-3-5-13-16(12-4-2)17-14-10-8-6-7-9-11-15-17/h16H,3-15H2,1-2H3
InChIKeyXOJDMFFEUOTBLH-UHFFFAOYSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

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

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Related Compounds

methane;1-octan-4-ylpiperidine
CID 143122058
1-[(4R)-octan-4-yl]azetidine
CID 170061956
1-decan-4-ylpiperidine
CID 142178259
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
1-[5,9-bis(azacyclododec-1-yl)-1-[4-(azacyclododec-1-yl)heptyl]nonyl]-azacyclododecane
CID 174384142
1-octadecan-4-ylaziridine
CID 87223215
1-heptan-3-ylazetidine
CID 172721722
1-decan-3-ylpiperidine
CID 68984931
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
2-(azocan-1-yl)nonan-1-amine
CID 43130470

Frequently Asked Questions

What is the IUPAC name of 1-octan-4-ylazonane?
The IUPAC name of 1-octan-4-ylazonane (CID 123427772) is 1-octan-4-ylazonane.
What is the SMILES notation for 1-octan-4-ylazonane?
The canonical SMILES for 1-octan-4-ylazonane is CCCCC(CCC)N1CCCCCCCC1.
What is the InChIKey of 1-octan-4-ylazonane?
The InChIKey is XOJDMFFEUOTBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-3-5-13-16(12-4-2)17-14-10-8-6-7-9-11-15-17/h16H,3-15H2,1-2H3.
What are the key properties of 1-octan-4-ylazonane?
1-octan-4-ylazonane has a molecular weight of 239.45 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octan-4-ylazonane is sourced from PubChem (CID 123427772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).