2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

C15H27NO — CID 102897828

IUPAC2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESC1CC(CCNCC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C15H27NO/c1-2-9-15(8-1)10-6-14(17-15)12-16-11-7-13-4-3-5-13/h13-14,16H,1-12H2
InChIKeyQQOYJNYLUJDBIB-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.26
Rot. Bonds5

About 2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (PubChem CID 102897828) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
PubChem CID102897828
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESC1CC(CCNCC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C15H27NO/c1-2-9-15(8-1)10-6-14(17-15)12-16-11-7-13-4-3-5-13/h13-14,16H,1-12H2
InChIKeyQQOYJNYLUJDBIB-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900965
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610
3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 106132555
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955
2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547
3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoic acid
CID 102899126
3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 102897450
2-cyclopentyloxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897294
3-methylsulfanyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897314
1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 102897479

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (CID 102897828) is 2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine is C1CC(CCNCC2CCC3(CCCC3)O2)C1.
What is the InChIKey of 2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The InChIKey is QQOYJNYLUJDBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-9-15(8-1)10-6-14(17-15)12-16-11-7-13-4-3-5-13/h13-14,16H,1-12H2.
What are the key properties of 2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine has a molecular weight of 237.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine is sourced from PubChem (CID 102897828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).