N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine

C14H27NO2 — CID 113429645

IUPACN-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NC2CCCCCCC2)CO1
InChIInChI=1S/C14H27NO2/c1-14(2)16-10-13(11-17-14)15-12-8-6-4-3-5-7-9-12/h12-13,15H,3-11H2,1-2H3
InChIKeyJRPHCWVEMFDJIT-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.84
Rot. Bonds2

About N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine

N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 113429645) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID113429645
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NC2CCCCCCC2)CO1
InChIInChI=1S/C14H27NO2/c1-14(2)16-10-13(11-17-14)15-12-8-6-4-3-5-7-9-12/h12-13,15H,3-11H2,1-2H3
InChIKeyJRPHCWVEMFDJIT-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine (CID 113429645) is N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine is CC1(C)OCC(NC2CCCCCCC2)CO1.
What is the InChIKey of N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is JRPHCWVEMFDJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2)16-10-13(11-17-14)15-12-8-6-4-3-5-7-9-12/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine?
N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 241.37 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 113429645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).