2-cyclodecylazecane

C19H37N — CID 126739440

IUPAC2-cyclodecylazecane
SMILESC1CCCCC(C2CCCCCCCCN2)CCCC1
InChIInChI=1S/C19H37N/c1-2-6-10-14-18(15-11-7-3-1)19-16-12-8-4-5-9-13-17-20-19/h18-20H,1-17H2
InChIKeyAUBJGTKKBYTFLV-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.83
Rot. Bonds1

About 2-cyclodecylazecane

2-cyclodecylazecane (PubChem CID 126739440) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 2-cyclodecylazecane.

Molecular Properties

Compound Name2-cyclodecylazecane
PubChem CID126739440
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name2-cyclodecylazecane
SMILESC1CCCCC(C2CCCCCCCCN2)CCCC1
InChIInChI=1S/C19H37N/c1-2-6-10-14-18(15-11-7-3-1)19-16-12-8-4-5-9-13-17-20-19/h18-20H,1-17H2
InChIKeyAUBJGTKKBYTFLV-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-cyclohexylpiperidine
CID 7016471
2-cycloheptylpiperidine;hydrochloride
CID 115030388
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
CID 92720077
2-(4-cyclohexylcyclohexyl)piperidine
CID 83404287
2-cycloheptylpyrrolidine;hydrochloride
CID 115023231
2-cyclopentylpyrrolidine
CID 4031549
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
CID 174042900
CID 174042900
2-piperidin-4-ylpiperidine;dihydrochloride
CID 86100620
2-pyrrolidin-2-ylpiperidine
CID 14810994
6-methyl-2-(5-methylcyclononyl)azonane
CID 146602825
4-piperidin-2-ylcyclohexan-1-one
CID 83262290

Frequently Asked Questions

What is the IUPAC name of 2-cyclodecylazecane?
The IUPAC name of 2-cyclodecylazecane (CID 126739440) is 2-cyclodecylazecane.
What is the SMILES notation for 2-cyclodecylazecane?
The canonical SMILES for 2-cyclodecylazecane is C1CCCCC(C2CCCCCCCCN2)CCCC1.
What is the InChIKey of 2-cyclodecylazecane?
The InChIKey is AUBJGTKKBYTFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-2-6-10-14-18(15-11-7-3-1)19-16-12-8-4-5-9-13-17-20-19/h18-20H,1-17H2.
What are the key properties of 2-cyclodecylazecane?
2-cyclodecylazecane has a molecular weight of 279.51 g/mol, XLogP of 5.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclodecylazecane is sourced from PubChem (CID 126739440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).