1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol

C15H29NO3 — CID 106246735

IUPAC1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol
SMILESCOCC(O)CCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H29NO3/c1-18-12-13(17)6-10-16-11-14-5-9-15(19-14)7-3-2-4-8-15/h13-14,16-17H,2-12H2,1H3
InChIKeyNBALRNREVAPVNV-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.86
Rot. Bonds7

About 1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol

1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol (PubChem CID 106246735) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol
PubChem CID106246735
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol
SMILESCOCC(O)CCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H29NO3/c1-18-12-13(17)6-10-16-11-14-5-9-15(19-14)7-3-2-4-8-15/h13-14,16-17H,2-12H2,1H3
InChIKeyNBALRNREVAPVNV-UHFFFAOYSA-N
XLogP1.86
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547
2-(2-methylpropoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897891
4-(cycloheptylmethylamino)-1-methoxybutan-2-ol
CID 103876173
2-(3-methylbutoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897138
2-(2-methylpropoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897890
N-(2-methoxyethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897739
2-[3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propoxy]ethanol
CID 106309924
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610
2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426
methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate
CID 103491800
2-cyclopentyloxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897294
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol?
The IUPAC name of 1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol (CID 106246735) is 1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol.
What is the SMILES notation for 1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol?
The canonical SMILES for 1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol is COCC(O)CCNCC1CCC2(CCCCC2)O1.
What is the InChIKey of 1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol?
The InChIKey is NBALRNREVAPVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-18-12-13(17)6-10-16-11-14-5-9-15(19-14)7-3-2-4-8-15/h13-14,16-17H,2-12H2,1H3.
What are the key properties of 1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol?
1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol has a molecular weight of 271.40 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol is sourced from PubChem (CID 106246735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).