2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

C16H29NO2 — CID 116723029

IUPAC2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESCCOC(C1CC1)C(N)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO2/c1-2-18-15(12-5-6-12)14(17)13-7-10-19-16(11-13)8-3-4-9-16/h12-15H,2-11,17H2,1H3
InChIKeyDOVDPYKTCCPLNE-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.87
Rot. Bonds5

About 2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 116723029) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID116723029
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESCCOC(C1CC1)C(N)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO2/c1-2-18-15(12-5-6-12)14(17)13-7-10-19-16(11-13)8-3-4-9-16/h12-15H,2-11,17H2,1H3
InChIKeyDOVDPYKTCCPLNE-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-ol
CID 116711129
[2-cyclopropyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethyl]hydrazine
CID 105273028
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 116718593
(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 116763566
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
2,2-difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 103516870
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
(1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 116766870
2-ethoxy-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 116716937
(3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914646
(1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104610599

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (CID 116723029) is 2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is CCOC(C1CC1)C(N)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is DOVDPYKTCCPLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-18-15(12-5-6-12)14(17)13-7-10-19-16(11-13)8-3-4-9-16/h12-15H,2-11,17H2,1H3.
What are the key properties of 2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 267.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 116723029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).