4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol

C15H29NO3 — CID 106159687

IUPAC4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol
SMILESCOCC(CCO)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H29NO3/c1-18-12-14(5-9-17)16-13-6-10-19-15(11-13)7-3-2-4-8-15/h13-14,16-17H,2-12H2,1H3
InChIKeyMQQVMETYGGYDEL-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.86
Rot. Bonds6

About 4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol

4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol (PubChem CID 106159687) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol
PubChem CID106159687
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol
SMILESCOCC(CCO)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H29NO3/c1-18-12-14(5-9-17)16-13-6-10-19-15(11-13)7-3-2-4-8-15/h13-14,16-17H,2-12H2,1H3
InChIKeyMQQVMETYGGYDEL-UHFFFAOYSA-N
XLogP1.86
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706
N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79899608
N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79904048
3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 79903001
N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79904199
methyl 3-(5-oxaspiro[3.5]nonan-8-ylamino)butanoate
CID 113357595
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
3-(azetidin-3-ylamino)-4-methoxybutan-1-ol
CID 106156395
N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103791803
N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894816
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol?
The IUPAC name of 4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol (CID 106159687) is 4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol.
What is the SMILES notation for 4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol?
The canonical SMILES for 4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol is COCC(CCO)NC1CCOC2(CCCCC2)C1.
What is the InChIKey of 4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol?
The InChIKey is MQQVMETYGGYDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-18-12-14(5-9-17)16-13-6-10-19-15(11-13)7-3-2-4-8-15/h13-14,16-17H,2-12H2,1H3.
What are the key properties of 4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol?
4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol has a molecular weight of 271.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol is sourced from PubChem (CID 106159687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).