1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine

C14H27N3 — CID 54977827

IUPAC1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC1CCN2CCC(N3CCCNCCC3)C2C1
InChIInChI=1S/C14H27N3/c1-2-9-17-12-6-14(13(17)5-1)16-10-3-7-15-8-4-11-16/h13-15H,1-12H2
InChIKeyWLWRQAIZSPOYKD-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.30
Rot. Bonds1

About 1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine

1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 54977827) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID54977827
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC1CCN2CCC(N3CCCNCCC3)C2C1
InChIInChI=1S/C14H27N3/c1-2-9-17-12-6-14(13(17)5-1)16-10-3-7-15-8-4-11-16/h13-15H,1-12H2
InChIKeyWLWRQAIZSPOYKD-UHFFFAOYSA-N
XLogP1.30
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(1,4-diazepan-1-yl)cyclohexan-1-ol
CID 93346121
11-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-7,11-diazaspiro[5.6]dodecane
CID 64945031
1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 64944847
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678711
N-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 80554243
1-[(1R,2R)-2-fluorocyclohexyl]piperazine
CID 126848005
1-[(1R,2S)-2-methylcyclohexyl]piperazine
CID 796159
4-(2-piperazin-1-ylcyclopentyl)morpholine
CID 121209586
1-piperidin-4-yl-1,4-diazepane
CID 53414008
3-methyl-1-azabicyclo[2.2.0]hexane;piperidine
CID 118163643
9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
CID 19890892
trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol
CID 51890003

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 54977827) is 1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine is C1CCN2CCC(N3CCCNCCC3)C2C1.
What is the InChIKey of 1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is WLWRQAIZSPOYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-9-17-12-6-14(13(17)5-1)16-10-3-7-15-8-4-11-16/h13-15H,1-12H2.
What are the key properties of 1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 237.39 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 54977827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).