1-(5-ethyl-1,5-diazocan-1-yl)ethanone

C10H20N2O — CID 89081102

IUPAC1-(5-ethyl-1,5-diazocan-1-yl)ethanone
SMILESCCN1CCCN(C(C)=O)CCC1
InChIInChI=1S/C10H20N2O/c1-3-11-6-4-8-12(10(2)13)9-5-7-11/h3-9H2,1-2H3
InChIKeyCBIUCNVOVRNNQK-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.95
Rot. Bonds1

About 1-(5-ethyl-1,5-diazocan-1-yl)ethanone

1-(5-ethyl-1,5-diazocan-1-yl)ethanone (PubChem CID 89081102) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(5-ethyl-1,5-diazocan-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-1,5-diazocan-1-yl)ethanone
PubChem CID89081102
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(5-ethyl-1,5-diazocan-1-yl)ethanone
SMILESCCN1CCCN(C(C)=O)CCC1
InChIInChI=1S/C10H20N2O/c1-3-11-6-4-8-12(10(2)13)9-5-7-11/h3-9H2,1-2H3
InChIKeyCBIUCNVOVRNNQK-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 172611513
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CID 91255593
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CID 60699723
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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,5-diazocan-1-yl)ethanone?
The IUPAC name of 1-(5-ethyl-1,5-diazocan-1-yl)ethanone (CID 89081102) is 1-(5-ethyl-1,5-diazocan-1-yl)ethanone.
What is the SMILES notation for 1-(5-ethyl-1,5-diazocan-1-yl)ethanone?
The canonical SMILES for 1-(5-ethyl-1,5-diazocan-1-yl)ethanone is CCN1CCCN(C(C)=O)CCC1.
What is the InChIKey of 1-(5-ethyl-1,5-diazocan-1-yl)ethanone?
The InChIKey is CBIUCNVOVRNNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-11-6-4-8-12(10(2)13)9-5-7-11/h3-9H2,1-2H3.
What are the key properties of 1-(5-ethyl-1,5-diazocan-1-yl)ethanone?
1-(5-ethyl-1,5-diazocan-1-yl)ethanone has a molecular weight of 184.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,5-diazocan-1-yl)ethanone is sourced from PubChem (CID 89081102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).