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

C15H27NO2 — CID 64862763

IUPACN-(2-cyclopentyloxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCCOC2CCCC2)C2CCOC21
InChIInChI=1S/C15H27NO2/c1-15(2)13(12-7-9-18-14(12)15)16-8-10-17-11-5-3-4-6-11/h11-14,16H,3-10H2,1-2H3
InChIKeyLQFICLKMCZTSGO-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.35
Rot. Bonds5

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

N-(2-cyclopentyloxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64862763) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64862763
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(2-cyclopentyloxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCCOC2CCCC2)C2CCOC21
InChIInChI=1S/C15H27NO2/c1-15(2)13(12-7-9-18-14(12)15)16-8-10-17-11-5-3-4-6-11/h11-14,16H,3-10H2,1-2H3
InChIKeyLQFICLKMCZTSGO-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.35
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-cyclopentyloxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64862763) is N-(2-cyclopentyloxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C(NCCOC2CCCC2)C2CCOC21.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is LQFICLKMCZTSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2)13(12-7-9-18-14(12)15)16-8-10-17-11-5-3-4-6-11/h11-14,16H,3-10H2,1-2H3.
What are the key properties of N-(2-cyclopentyloxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-(2-cyclopentyloxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 253.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64862763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).