2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine

C16H31NO — CID 106200977

IUPAC2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine
SMILESCCNC1CCCCCCC1OCCC1CCC1
InChIInChI=1S/C16H31NO/c1-2-17-15-10-5-3-4-6-11-16(15)18-13-12-14-8-7-9-14/h14-17H,2-13H2,1H3
InChIKeyFYZNLXTWQNHNNC-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds6

About 2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine

2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine (PubChem CID 106200977) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine
PubChem CID106200977
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine
SMILESCCNC1CCCCCCC1OCCC1CCC1
InChIInChI=1S/C16H31NO/c1-2-17-15-10-5-3-4-6-11-16(15)18-13-12-14-8-7-9-14/h14-17H,2-13H2,1H3
InChIKeyFYZNLXTWQNHNNC-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine?
The IUPAC name of 2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine (CID 106200977) is 2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine?
The canonical SMILES for 2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine is CCNC1CCCCCCC1OCCC1CCC1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine?
The InChIKey is FYZNLXTWQNHNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-17-15-10-5-3-4-6-11-16(15)18-13-12-14-8-7-9-14/h14-17H,2-13H2,1H3.
What are the key properties of 2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine?
2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine is sourced from PubChem (CID 106200977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).