4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine

C15H29NO2 — CID 102897113

IUPAC4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
SMILESCOCCCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H29NO2/c1-17-12-6-5-11-16-13-14-7-10-15(18-14)8-3-2-4-9-15/h14,16H,2-13H2,1H3
InChIKeyLSXZXTNUJCFONC-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.88
Rot. Bonds7

About 4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine

4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine (PubChem CID 102897113) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
PubChem CID102897113
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
SMILESCOCCCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H29NO2/c1-17-12-6-5-11-16-13-14-7-10-15(18-14)8-3-2-4-9-15/h14,16H,2-13H2,1H3
InChIKeyLSXZXTNUJCFONC-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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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Related Compounds

1-Oxa-7-azaspiro(4.5)decane
CID 22618189
4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
1-Cyclohexyl-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3144577
2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896748
3,3,3-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897265
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897299
2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897656
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897659
5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
CID 102897661
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 103524797
1,1,1-Trifluoro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propan-2-ol
CID 105644980
1,1-Difluoro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propan-2-ol
CID 105645620

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The IUPAC name of 4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine (CID 102897113) is 4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The canonical SMILES for 4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine is COCCCCNCC1CCC2(CCCCC2)O1.
What is the InChIKey of 4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The InChIKey is LSXZXTNUJCFONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-17-12-6-5-11-16-13-14-7-10-15(18-14)8-3-2-4-9-15/h14,16H,2-13H2,1H3.
What are the key properties of 4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 102897113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).