N-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine

C16H33NO — CID 114208332

IUPACN-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine
SMILESCCNC1CCCCCCC1OCC(CC)CC
InChIInChI=1S/C16H33NO/c1-4-14(5-2)13-18-16-12-10-8-7-9-11-15(16)17-6-3/h14-17H,4-13H2,1-3H3
InChIKeyLPQAIHUYBSVLDF-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.14
Rot. Bonds7

About N-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine

N-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine (PubChem CID 114208332) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine
PubChem CID114208332
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine
SMILESCCNC1CCCCCCC1OCC(CC)CC
InChIInChI=1S/C16H33NO/c1-4-14(5-2)13-18-16-12-10-8-7-9-11-15(16)17-6-3/h14-17H,4-13H2,1-3H3
InChIKeyLPQAIHUYBSVLDF-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine?
The IUPAC name of N-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine (CID 114208332) is N-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine?
The canonical SMILES for N-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine is CCNC1CCCCCCC1OCC(CC)CC.
What is the InChIKey of N-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine?
The InChIKey is LPQAIHUYBSVLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-14(5-2)13-18-16-12-10-8-7-9-11-15(16)17-6-3/h14-17H,4-13H2,1-3H3.
What are the key properties of N-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine?
N-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine is sourced from PubChem (CID 114208332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).