2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine

C16H29NO3 — CID 116722472

IUPAC2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine
SMILESCCNC(C1CCOC2(CCOC2)C1)C(OC)C1CC1
InChIInChI=1S/C16H29NO3/c1-3-17-14(15(18-2)12-4-5-12)13-6-8-20-16(10-13)7-9-19-11-16/h12-15,17H,3-11H2,1-2H3
InChIKeyYHTZJZYXZDXQHX-UHFFFAOYSA-N
MW283.41 g/mol
LogP1.98
Rot. Bonds6

About 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine

2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine (PubChem CID 116722472) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine
PubChem CID116722472
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine
SMILESCCNC(C1CCOC2(CCOC2)C1)C(OC)C1CC1
InChIInChI=1S/C16H29NO3/c1-3-17-14(15(18-2)12-4-5-12)13-6-8-20-16(10-13)7-9-19-11-16/h12-15,17H,3-11H2,1-2H3
InChIKeyYHTZJZYXZDXQHX-UHFFFAOYSA-N
XLogP1.98
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine
CID 116722752
N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclopentyl)methyl]ethanamine
CID 79911261
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028615
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethoxyethyl]hydrazine
CID 105246210
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpentan-1-amine
CID 105012146
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 116726779
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105170268
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethylbutyl]hydrazine
CID 105325531
N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine
CID 106830408
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 79953929
[2-cyclopropyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethyl]hydrazine
CID 105273028
3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine
CID 105017087

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine?
The IUPAC name of 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine (CID 116722472) is 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine?
The canonical SMILES for 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine is CCNC(C1CCOC2(CCOC2)C1)C(OC)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine?
The InChIKey is YHTZJZYXZDXQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-17-14(15(18-2)12-4-5-12)13-6-8-20-16(10-13)7-9-19-11-16/h12-15,17H,3-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine?
2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine has a molecular weight of 283.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 116722472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).