8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane

C16H30N2 — CID 121372028

IUPAC8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCC1CC2CNCC1N2C1CCCCCCCC1
InChIInChI=1S/C16H30N2/c1-13-10-15-11-17-12-16(13)18(15)14-8-6-4-2-3-5-7-9-14/h13-17H,2-12H2,1H3
InChIKeyNDNYMNSZXQBUPM-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.17
Rot. Bonds1

About 8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane

8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 121372028) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID121372028
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCC1CC2CNCC1N2C1CCCCCCCC1
InChIInChI=1S/C16H30N2/c1-13-10-15-11-17-12-16(13)18(15)14-8-6-4-2-3-5-7-9-14/h13-17H,2-12H2,1H3
InChIKeyNDNYMNSZXQBUPM-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol
CID 122237052
2-methyl-1-(5-methylpiperidin-3-yl)azepane
CID 115373516
9-methyl-3,9-diazabicyclo[3.3.1]nonane
CID 18911
1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 113296904
1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine
CID 66203861
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane
CID 145424394
(5S)-6-(3-methyloxiran-2-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 146275623
3-cycloheptyl-5-methylpiperidine
CID 106781026
1-(4-methylpyrrolidin-3-yl)azepane
CID 81458651
3-methyl-5-pyrrolidin-1-ylpiperidine
CID 79905165
3-(3,4-dimethylpyrrolidin-1-yl)-5-methylpiperidine
CID 115373534
9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole
CID 118587293

Frequently Asked Questions

What is the IUPAC name of 8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane (CID 121372028) is 8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane is CC1CC2CNCC1N2C1CCCCCCCC1.
What is the InChIKey of 8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is NDNYMNSZXQBUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-13-10-15-11-17-12-16(13)18(15)14-8-6-4-2-3-5-7-9-14/h13-17H,2-12H2,1H3.
What are the key properties of 8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane?
8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 250.43 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 121372028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).