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

Analyze 4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550965
1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550960
3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane
CID 114102096
1-(3-methylcyclopentyl)-1,4-diazepane
CID 64516428
1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine
CID 742968
1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane
CID 64743687
ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 142534546
1-(2-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane
CID 114120161
1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane
CID 64949456
1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64942540
3-butan-2-yl-1-(3-methylcyclohexyl)-1,4-diazepane
CID 64943533
(3R)-3-methyl-1-(3-methylcyclopentyl)piperazine
CID 130736458

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).