2-butoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine

C16H31NO2 — CID 102896957

IUPAC2-butoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESCCCCOCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H31NO2/c1-2-3-12-18-13-11-17-14-15-7-10-16(19-15)8-5-4-6-9-16/h15,17H,2-14H2,1H3
InChIKeyHVMBGKZWRBQZTN-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.27
Rot. Bonds8

About 2-butoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine

2-butoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (PubChem CID 102896957) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-butoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-butoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
PubChem CID102896957
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-butoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESCCCCOCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H31NO2/c1-2-3-12-18-13-11-17-14-15-7-10-16(19-15)8-5-4-6-9-16/h15,17H,2-14H2,1H3
InChIKeyHVMBGKZWRBQZTN-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.27
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

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
2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 105910762

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The IUPAC name of 2-butoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (CID 102896957) is 2-butoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-butoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-butoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is CCCCOCCNCC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-butoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The InChIKey is HVMBGKZWRBQZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-3-12-18-13-11-17-14-15-7-10-16(19-15)8-5-4-6-9-16/h15,17H,2-14H2,1H3.
What are the key properties of 2-butoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
2-butoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine has a molecular weight of 269.43 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is sourced from PubChem (CID 102896957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).