1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine

C17H33N3 — CID 64944847

IUPAC1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCC1(CC)CN(C2CCN3CCCCC23)CCCN1
InChIInChI=1S/C17H33N3/c1-3-17(4-2)14-20(12-7-10-18-17)16-9-13-19-11-6-5-8-15(16)19/h15-16,18H,3-14H2,1-2H3
InChIKeyADROATCMDUVMGD-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.47
Rot. Bonds3

About 1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine

1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 64944847) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID64944847
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCC1(CC)CN(C2CCN3CCCCC23)CCCN1
InChIInChI=1S/C17H33N3/c1-3-17(4-2)14-20(12-7-10-18-17)16-9-13-19-11-6-5-8-15(16)19/h15-16,18H,3-14H2,1-2H3
InChIKeyADROATCMDUVMGD-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 64944847) is 1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine is CCC1(CC)CN(C2CCN3CCCCC23)CCCN1.
What is the InChIKey of 1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is ADROATCMDUVMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-3-17(4-2)14-20(12-7-10-18-17)16-9-13-19-11-6-5-8-15(16)19/h15-16,18H,3-14H2,1-2H3.
What are the key properties of 1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 279.47 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 64944847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).