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

C12H24N2 — CID 114550960

IUPAC1-(3-methylcyclopentyl)-1,5-diazocane
SMILESCC1CCC(N2CCCNCCC2)C1
InChIInChI=1S/C12H24N2/c1-11-4-5-12(10-11)14-8-2-6-13-7-3-9-14/h11-13H,2-10H2,1H3
InChIKeyLCTCSESGYAQRMD-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds1

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

1-(3-methylcyclopentyl)-1,5-diazocane (PubChem CID 114550960) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)-1,5-diazocane.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)-1,5-diazocane
PubChem CID114550960
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(3-methylcyclopentyl)-1,5-diazocane
SMILESCC1CCC(N2CCCNCCC2)C1
InChIInChI=1S/C12H24N2/c1-11-4-5-12(10-11)14-8-2-6-13-7-3-9-14/h11-13H,2-10H2,1H3
InChIKeyLCTCSESGYAQRMD-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylcyclopentyl)-1,4-diazepane
CID 64516428
4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550969
ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 142534546
ethane;1-(3-methylcyclohexyl)pyrrolidine
CID 144810931
3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane;trihydrochloride
CID 70298410
6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane
CID 114550967
4-[(1R,3S)-3-methylcyclopentyl]morpholine
CID 7448488
(3R)-3-methyl-1-(3-methylcyclopentyl)piperazine
CID 130736458
1-(3,7-dimethylcyclooctyl)piperidine
CID 167208270
1-piperidin-4-yl-1,4-diazepane
CID 53414008
N-methyl-1-(3-methylcyclopentyl)piperidin-3-amine
CID 64514279
1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine
CID 95913076

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopentyl)-1,5-diazocane?
The IUPAC name of 1-(3-methylcyclopentyl)-1,5-diazocane (CID 114550960) is 1-(3-methylcyclopentyl)-1,5-diazocane.
What is the SMILES notation for 1-(3-methylcyclopentyl)-1,5-diazocane?
The canonical SMILES for 1-(3-methylcyclopentyl)-1,5-diazocane is CC1CCC(N2CCCNCCC2)C1.
What is the InChIKey of 1-(3-methylcyclopentyl)-1,5-diazocane?
The InChIKey is LCTCSESGYAQRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-11-4-5-12(10-11)14-8-2-6-13-7-3-9-14/h11-13H,2-10H2,1H3.
What are the key properties of 1-(3-methylcyclopentyl)-1,5-diazocane?
1-(3-methylcyclopentyl)-1,5-diazocane has a molecular weight of 196.34 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)-1,5-diazocane is sourced from PubChem (CID 114550960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).