3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline

C18H25N3 — CID 62783131

IUPAC3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline
SMILESCCC1CCN(c2cnc3ccccc3c2)CC(C)CN1
InChIInChI=1S/C18H25N3/c1-3-16-8-9-21(13-14(2)11-19-16)17-10-15-6-4-5-7-18(15)20-12-17/h4-7,10,12,14,16,19H,3,8-9,11,13H2,1-2H3
InChIKeyJKYZLXVPSJXXTD-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.45
Rot. Bonds2

About 3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline

3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline (PubChem CID 62783131) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline.

Molecular Properties

Compound Name3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline
PubChem CID62783131
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline
SMILESCCC1CCN(c2cnc3ccccc3c2)CC(C)CN1
InChIInChI=1S/C18H25N3/c1-3-16-8-9-21(13-14(2)11-19-16)17-10-15-6-4-5-7-18(15)20-12-17/h4-7,10,12,14,16,19H,3,8-9,11,13H2,1-2H3
InChIKeyJKYZLXVPSJXXTD-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline?
The IUPAC name of 3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline (CID 62783131) is 3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline.
What is the SMILES notation for 3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline?
The canonical SMILES for 3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline is CCC1CCN(c2cnc3ccccc3c2)CC(C)CN1.
What is the InChIKey of 3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline?
The InChIKey is JKYZLXVPSJXXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-16-8-9-21(13-14(2)11-19-16)17-10-15-6-4-5-7-18(15)20-12-17/h4-7,10,12,14,16,19H,3,8-9,11,13H2,1-2H3.
What are the key properties of 3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline?
3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline has a molecular weight of 283.42 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-3-methyl-1,5-diazocan-1-yl)quinoline is sourced from PubChem (CID 62783131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).