N-(2-butoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C15H29NO2 — CID 64862858

IUPACN-(2-butoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCCCOCCNC1C2CCCOC2C1(C)C
InChIInChI=1S/C15H29NO2/c1-4-5-9-17-11-8-16-13-12-7-6-10-18-14(12)15(13,2)3/h12-14,16H,4-11H2,1-3H3
InChIKeyYATMKZDOEMABMO-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.60
Rot. Bonds7

About N-(2-butoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

N-(2-butoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64862858) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(2-butoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64862858
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(2-butoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCCCOCCNC1C2CCCOC2C1(C)C
InChIInChI=1S/C15H29NO2/c1-4-5-9-17-11-8-16-13-12-7-6-10-18-14(12)15(13,2)3/h12-14,16H,4-11H2,1-3H3
InChIKeyYATMKZDOEMABMO-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.60
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)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of N-(2-butoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 64862858) is N-(2-butoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for N-(2-butoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for N-(2-butoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CCCCOCCNC1C2CCCOC2C1(C)C.
What is the InChIKey of N-(2-butoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is YATMKZDOEMABMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-5-9-17-11-8-16-13-12-7-6-10-18-14(12)15(13,2)3/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-(2-butoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
N-(2-butoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 255.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64862858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).