1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine

C14H27NO4 — CID 102927776

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCC(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H27NO4/c1-16-8-9-17-5-3-13(15)12-2-6-19-14(10-12)4-7-18-11-14/h12-13H,2-11,15H2,1H3
InChIKeyNORFDDGOMRMPMK-UHFFFAOYSA-N
MW273.37 g/mol
LogP0.95
Rot. Bonds7

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 102927776) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine
PubChem CID102927776
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCC(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H27NO4/c1-16-8-9-17-5-3-13(15)12-2-6-19-14(10-12)4-7-18-11-14/h12-13H,2-11,15H2,1H3
InChIKeyNORFDDGOMRMPMK-UHFFFAOYSA-N
XLogP0.95
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105017103
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine
CID 105167577
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine
CID 79914979
methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
CID 79905755
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine
CID 79911409
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine
CID 105017171
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine
CID 79911954
2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764369
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine
CID 105206283

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine (CID 102927776) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine is COCCOCCC(N)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is NORFDDGOMRMPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-16-8-9-17-5-3-13(15)12-2-6-19-14(10-12)4-7-18-11-14/h12-13H,2-11,15H2,1H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 273.37 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 102927776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).