2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine

C16H31NO2 — CID 116718593

IUPAC2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
SMILESCCCC(OC)C(N)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H31NO2/c1-3-7-14(18-2)15(17)13-8-11-19-16(12-13)9-5-4-6-10-16/h13-15H,3-12,17H2,1-2H3
InChIKeyJRGRAUOGPIAIQU-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.26
Rot. Bonds5

About 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine

2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine (PubChem CID 116718593) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
PubChem CID116718593
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
SMILESCCCC(OC)C(N)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H31NO2/c1-3-7-14(18-2)15(17)13-8-11-19-16(12-13)9-5-4-6-10-16/h13-15H,3-12,17H2,1-2H3
InChIKeyJRGRAUOGPIAIQU-UHFFFAOYSA-N
XLogP3.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine
CID 116718432
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-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 116723029
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine
CID 79911630
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol
CID 79913855
3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 113391352
1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105016795
(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 116763566
(4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 116764461
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine
CID 105016151
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine
CID 105017171

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine?
The IUPAC name of 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine (CID 116718593) is 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine.
What is the SMILES notation for 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine?
The canonical SMILES for 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine is CCCC(OC)C(N)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine?
The InChIKey is JRGRAUOGPIAIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-7-14(18-2)15(17)13-8-11-19-16(12-13)9-5-4-6-10-16/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine?
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine is sourced from PubChem (CID 116718593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).