N-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C16H29N3 — CID 105365542

IUPACN-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(C1CC2CCC(C1)N2)C1CCN2CCC1C2
InChIInChI=1S/C16H29N3/c1-2-19(15-9-13-3-4-14(10-15)17-13)16-6-8-18-7-5-12(16)11-18/h12-17H,2-11H2,1H3
InChIKeyZBTFDCYQBFROMZ-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.69
Rot. Bonds3

About N-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

N-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 105365542) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID105365542
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(C1CC2CCC(C1)N2)C1CCN2CCC1C2
InChIInChI=1S/C16H29N3/c1-2-19(15-9-13-3-4-14(10-15)17-13)16-6-8-18-7-5-12(16)11-18/h12-17H,2-11H2,1H3
InChIKeyZBTFDCYQBFROMZ-UHFFFAOYSA-N
XLogP1.69
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 105365542) is N-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCN(C1CC2CCC(C1)N2)C1CCN2CCC1C2.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ZBTFDCYQBFROMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-2-19(15-9-13-3-4-14(10-15)17-13)16-6-8-18-7-5-12(16)11-18/h12-17H,2-11H2,1H3.
What are the key properties of N-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 263.43 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 105365542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).