8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C16H30N2 — CID 55106808

IUPAC8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2C1CCCCCCC1
InChIInChI=1S/C16H30N2/c1-17-13-11-15-9-10-16(12-13)18(15)14-7-5-3-2-4-6-8-14/h13-17H,2-12H2,1H3
InChIKeyHWTMUFQUDBJCNK-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.31
Rot. Bonds2

About 8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55106808) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55106808
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2C1CCCCCCC1
InChIInChI=1S/C16H30N2/c1-17-13-11-15-9-10-16(12-13)18(15)14-7-5-3-2-4-6-8-14/h13-17H,2-12H2,1H3
InChIKeyHWTMUFQUDBJCNK-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 55106808) is 8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2C1CCCCCCC1.
What is the InChIKey of 8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is HWTMUFQUDBJCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-17-13-11-15-9-10-16(12-13)18(15)14-7-5-3-2-4-6-8-14/h13-17H,2-12H2,1H3.
What are the key properties of 8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 250.43 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55106808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).