6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane

C15H30N2 — CID 114550965

IUPAC6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane
SMILESCCC1CCN(C2CCC(C)C2)CC(C)CN1
InChIInChI=1S/C15H30N2/c1-4-14-7-8-17(11-13(3)10-16-14)15-6-5-12(2)9-15/h12-16H,4-11H2,1-3H3
InChIKeyWVUIZBPNHGQQMO-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.88
Rot. Bonds2

About 6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane

6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane (PubChem CID 114550965) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane.

Molecular Properties

Compound Name6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane
PubChem CID114550965
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane
SMILESCCC1CCN(C2CCC(C)C2)CC(C)CN1
InChIInChI=1S/C15H30N2/c1-4-14-7-8-17(11-13(3)10-16-14)15-6-5-12(2)9-15/h12-16H,4-11H2,1-3H3
InChIKeyWVUIZBPNHGQQMO-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550969
1-(2,2-dimethyloxan-4-yl)-6-ethyl-3-methyl-1,5-diazocane
CID 83039835
6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane
CID 114550967
3-ethyl-1-(3-methylcyclopentyl)piperidin-4-amine
CID 81457825
(3R)-3-methyl-1-(3-methylcyclopentyl)piperazine
CID 130736458
3-fluoro-1-(3-methylcyclopentyl)pyrrolidine
CID 144865924
1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine
CID 742968
1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane
CID 113476176
(8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 166931143
3-fluoro-1-(3-methylcyclopentyl)azetidine
CID 123353317
3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane
CID 114102096
2,5-diethyl-1-(3-methylcyclohexyl)piperazine
CID 64934041

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane?
The IUPAC name of 6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane (CID 114550965) is 6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane.
What is the SMILES notation for 6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane?
The canonical SMILES for 6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane is CCC1CCN(C2CCC(C)C2)CC(C)CN1.
What is the InChIKey of 6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane?
The InChIKey is WVUIZBPNHGQQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-14-7-8-17(11-13(3)10-16-14)15-6-5-12(2)9-15/h12-16H,4-11H2,1-3H3.
What are the key properties of 6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane?
6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane has a molecular weight of 238.42 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane is sourced from PubChem (CID 114550965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).