N-cyclooctyloxan-4-amine

C13H25NO — CID 43608383

IUPACN-cyclooctyloxan-4-amine
SMILESC1CCCC(NC2CCOCC2)CCC1
InChIInChI=1S/C13H25NO/c1-2-4-6-12(7-5-3-1)14-13-8-10-15-11-9-13/h12-14H,1-11H2
InChIKeyRSRITCOHVBUGEH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds2

About N-cyclooctyloxan-4-amine

N-cyclooctyloxan-4-amine (PubChem CID 43608383) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-cyclooctyloxan-4-amine.

Molecular Properties

Compound NameN-cyclooctyloxan-4-amine
PubChem CID43608383
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-cyclooctyloxan-4-amine
SMILESC1CCCC(NC2CCOCC2)CCC1
InChIInChI=1S/C13H25NO/c1-2-4-6-12(7-5-3-1)14-13-8-10-15-11-9-13/h12-14H,1-11H2
InChIKeyRSRITCOHVBUGEH-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyloxan-4-amine?
The IUPAC name of N-cyclooctyloxan-4-amine (CID 43608383) is N-cyclooctyloxan-4-amine.
What is the SMILES notation for N-cyclooctyloxan-4-amine?
The canonical SMILES for N-cyclooctyloxan-4-amine is C1CCCC(NC2CCOCC2)CCC1.
What is the InChIKey of N-cyclooctyloxan-4-amine?
The InChIKey is RSRITCOHVBUGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-4-6-12(7-5-3-1)14-13-8-10-15-11-9-13/h12-14H,1-11H2.
What are the key properties of N-cyclooctyloxan-4-amine?
N-cyclooctyloxan-4-amine has a molecular weight of 211.35 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyloxan-4-amine is sourced from PubChem (CID 43608383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).