3-(2-methoxyethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine

C16H31NO3 — CID 102927853

IUPAC3-(2-methoxyethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESCOCCOCCC(N)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H31NO3/c1-18-11-12-19-9-6-15(17)14-5-10-20-16(13-14)7-3-2-4-8-16/h14-15H,2-13,17H2,1H3
InChIKeyTYVUGEHFPWEJNP-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.50
Rot. Bonds7

About 3-(2-methoxyethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine

3-(2-methoxyethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine (PubChem CID 102927853) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
PubChem CID102927853
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name3-(2-methoxyethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESCOCCOCCC(N)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H31NO3/c1-18-11-12-19-9-6-15(17)14-5-10-20-16(13-14)7-3-2-4-8-16/h14-15H,2-13,17H2,1H3
InChIKeyTYVUGEHFPWEJNP-UHFFFAOYSA-N
XLogP2.50
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine (CID 102927853) is 3-(2-methoxyethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine is COCCOCCC(N)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 3-(2-methoxyethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The InChIKey is TYVUGEHFPWEJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-18-11-12-19-9-6-15(17)14-5-10-20-16(13-14)7-3-2-4-8-16/h14-15H,2-13,17H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
3-(2-methoxyethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine is sourced from PubChem (CID 102927853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).