5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane

C15H30N2 — CID 64914058

IUPAC5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane
SMILESCCC1CCN(C2CCC(CC)C2C)CCN1
InChIInChI=1S/C15H30N2/c1-4-13-6-7-15(12(13)3)17-10-8-14(5-2)16-9-11-17/h12-16H,4-11H2,1-3H3
InChIKeyGATVGYJFOUDFOF-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.88
Rot. Bonds3

About 5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane

5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane (PubChem CID 64914058) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane.

Molecular Properties

Compound Name5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane
PubChem CID64914058
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane
SMILESCCC1CCN(C2CCC(CC)C2C)CCN1
InChIInChI=1S/C15H30N2/c1-4-13-6-7-15(12(13)3)17-10-8-14(5-2)16-9-11-17/h12-16H,4-11H2,1-3H3
InChIKeyGATVGYJFOUDFOF-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane
CID 64916660
3-(5-ethyl-1,4-diazepan-1-yl)-1-azabicyclo[2.2.2]octane
CID 54973083
5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-2-methylpiperazine
CID 64941684
1-(2,3-dimethylcyclobutyl)-3-ethylpiperazine
CID 131183160
1-(2-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane
CID 114120161
N-[[1-(3-ethyl-2-methylcyclopentyl)pyrrolidin-3-yl]methyl]ethanamine
CID 64923176
5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpiperazine
CID 64940926
4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550969
1,3-diethyl-2-methylcyclopentane
CID 123589151
3-ethyl-1-(1-methylazetidin-3-yl)piperazine
CID 131042809
ethane;2-ethylazetidine
CID 90717086
1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane
CID 131160325

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane?
The IUPAC name of 5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane (CID 64914058) is 5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane.
What is the SMILES notation for 5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane?
The canonical SMILES for 5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane is CCC1CCN(C2CCC(CC)C2C)CCN1.
What is the InChIKey of 5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane?
The InChIKey is GATVGYJFOUDFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-13-6-7-15(12(13)3)17-10-8-14(5-2)16-9-11-17/h12-16H,4-11H2,1-3H3.
What are the key properties of 5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane?
5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane has a molecular weight of 238.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane is sourced from PubChem (CID 64914058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).