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

C16H29NO2 — CID 102897907

IUPAC2-(2-methylprop-2-enoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESC=C(C)COCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H29NO2/c1-14(2)13-18-11-10-17-12-15-6-9-16(19-15)7-4-3-5-8-16/h15,17H,1,3-13H2,2H3
InChIKeyXARIYZKXHNEKCQ-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.05
Rot. Bonds7

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

2-(2-methylprop-2-enoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (PubChem CID 102897907) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
PubChem CID102897907
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-(2-methylprop-2-enoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESC=C(C)COCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H29NO2/c1-14(2)13-18-11-10-17-12-15-6-9-16(19-15)7-4-3-5-8-16/h15,17H,1,3-13H2,2H3
InChIKeyXARIYZKXHNEKCQ-UHFFFAOYSA-N
XLogP3.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896527
N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine
CID 102896534
2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547
N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
CID 102896574
N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102896611
3-ethoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102896722
N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102896740
3-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102896795
2-ethoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896866
4-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
CID 102896947
2-butoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896957
4-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897113

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (CID 102897907) is 2-(2-methylprop-2-enoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is C=C(C)COCCNCC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The InChIKey is XARIYZKXHNEKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-14(2)13-18-11-10-17-12-15-6-9-16(19-15)7-4-3-5-8-16/h15,17H,1,3-13H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
2-(2-methylprop-2-enoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine has a molecular weight of 267.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is sourced from PubChem (CID 102897907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).