4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane

C14H28N2 — CID 114550969

IUPAC4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane
SMILESCCC1CCN(C2CCC(C)C2)CCCN1
InChIInChI=1S/C14H28N2/c1-3-13-7-10-16(9-4-8-15-13)14-6-5-12(2)11-14/h12-15H,3-11H2,1-2H3
InChIKeyOYHJHPCNWGJDLG-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds2

About 4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane

4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane (PubChem CID 114550969) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane.

Molecular Properties

Compound Name4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane
PubChem CID114550969
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane
SMILESCCC1CCN(C2CCC(C)C2)CCCN1
InChIInChI=1S/C14H28N2/c1-3-13-7-10-16(9-4-8-15-13)14-6-5-12(2)11-14/h12-15H,3-11H2,1-2H3
InChIKeyOYHJHPCNWGJDLG-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane?
The IUPAC name of 4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane (CID 114550969) is 4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane.
What is the SMILES notation for 4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane?
The canonical SMILES for 4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane is CCC1CCN(C2CCC(C)C2)CCCN1.
What is the InChIKey of 4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane?
The InChIKey is OYHJHPCNWGJDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-13-7-10-16(9-4-8-15-13)14-6-5-12(2)11-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane?
4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane has a molecular weight of 224.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane is sourced from PubChem (CID 114550969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).