N-(2-butoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C14H27NO2 — CID 64863522

IUPACN-(2-butoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCCCOCCNC1C2CCOC2C1(C)C
InChIInChI=1S/C14H27NO2/c1-4-5-8-16-10-7-15-12-11-6-9-17-13(11)14(12,2)3/h11-13,15H,4-10H2,1-3H3
InChIKeyOTZUEAPSEPREFJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.21
Rot. Bonds7

About N-(2-butoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

N-(2-butoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64863522) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(2-butoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64863522
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(2-butoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCCCOCCNC1C2CCOC2C1(C)C
InChIInChI=1S/C14H27NO2/c1-4-5-8-16-10-7-15-12-11-6-9-17-13(11)14(12,2)3/h11-13,15H,4-10H2,1-3H3
InChIKeyOTZUEAPSEPREFJ-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-(2-butoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64863522) is N-(2-butoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-(2-butoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-(2-butoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CCCCOCCNC1C2CCOC2C1(C)C.
What is the InChIKey of N-(2-butoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is OTZUEAPSEPREFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-5-8-16-10-7-15-12-11-6-9-17-13(11)14(12,2)3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-(2-butoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-(2-butoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 241.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64863522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).