2-(3,3-dimethylbutoxy)cyclooctan-1-amine

C14H29NO — CID 66232018

IUPAC2-(3,3-dimethylbutoxy)cyclooctan-1-amine
SMILESCC(C)(C)CCOC1CCCCCCC1N
InChIInChI=1S/C14H29NO/c1-14(2,3)10-11-16-13-9-7-5-4-6-8-12(13)15/h12-13H,4-11,15H2,1-3H3
InChIKeyOJZFVGASHHEROB-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.49
Rot. Bonds3

About 2-(3,3-dimethylbutoxy)cyclooctan-1-amine

2-(3,3-dimethylbutoxy)cyclooctan-1-amine (PubChem CID 66232018) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)cyclooctan-1-amine.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)cyclooctan-1-amine
PubChem CID66232018
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(3,3-dimethylbutoxy)cyclooctan-1-amine
SMILESCC(C)(C)CCOC1CCCCCCC1N
InChIInChI=1S/C14H29NO/c1-14(2,3)10-11-16-13-9-7-5-4-6-8-12(13)15/h12-13H,4-11,15H2,1-3H3
InChIKeyOJZFVGASHHEROB-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)cyclooctan-1-amine?
The IUPAC name of 2-(3,3-dimethylbutoxy)cyclooctan-1-amine (CID 66232018) is 2-(3,3-dimethylbutoxy)cyclooctan-1-amine.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)cyclooctan-1-amine?
The canonical SMILES for 2-(3,3-dimethylbutoxy)cyclooctan-1-amine is CC(C)(C)CCOC1CCCCCCC1N.
What is the InChIKey of 2-(3,3-dimethylbutoxy)cyclooctan-1-amine?
The InChIKey is OJZFVGASHHEROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-14(2,3)10-11-16-13-9-7-5-4-6-8-12(13)15/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutoxy)cyclooctan-1-amine?
2-(3,3-dimethylbutoxy)cyclooctan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)cyclooctan-1-amine is sourced from PubChem (CID 66232018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).