8,8-dimethyl-N-[1-(oxolan-2-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine

C15H27NO2 — CID 64862835

IUPAC8,8-dimethyl-N-[1-(oxolan-2-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(NC1C2CCCOC2C1(C)C)C1CCCO1
InChIInChI=1S/C15H27NO2/c1-10(12-7-5-8-17-12)16-13-11-6-4-9-18-14(11)15(13,2)3/h10-14,16H,4-9H2,1-3H3
InChIKeyBYAVIKCTTYORPS-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.35
Rot. Bonds3

About 8,8-dimethyl-N-[1-(oxolan-2-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-N-[1-(oxolan-2-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64862835) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 8,8-dimethyl-N-[1-(oxolan-2-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-[1-(oxolan-2-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64862835
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name8,8-dimethyl-N-[1-(oxolan-2-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(NC1C2CCCOC2C1(C)C)C1CCCO1
InChIInChI=1S/C15H27NO2/c1-10(12-7-5-8-17-12)16-13-11-6-4-9-18-14(11)15(13,2)3/h10-14,16H,4-9H2,1-3H3
InChIKeyBYAVIKCTTYORPS-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-N-[1-(oxolan-2-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-[1-(oxolan-2-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine (CID 64862835) is 8,8-dimethyl-N-[1-(oxolan-2-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-[1-(oxolan-2-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-[1-(oxolan-2-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine is CC(NC1C2CCCOC2C1(C)C)C1CCCO1.
What is the InChIKey of 8,8-dimethyl-N-[1-(oxolan-2-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is BYAVIKCTTYORPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10(12-7-5-8-17-12)16-13-11-6-4-9-18-14(11)15(13,2)3/h10-14,16H,4-9H2,1-3H3.
What are the key properties of 8,8-dimethyl-N-[1-(oxolan-2-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-[1-(oxolan-2-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 253.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-[1-(oxolan-2-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64862835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).