4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol

C15H29NO2 — CID 113499845

IUPAC4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol
SMILESCC(O)CCN(C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H29NO2/c1-13(17)6-10-16(2)14-7-11-18-15(12-14)8-4-3-5-9-15/h13-14,17H,3-12H2,1-2H3
InChIKeyACJTZBMQOLEOST-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.57
Rot. Bonds4

About 4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol

4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol (PubChem CID 113499845) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol
PubChem CID113499845
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol
SMILESCC(O)CCN(C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H29NO2/c1-13(17)6-10-16(2)14-7-11-18-15(12-14)8-4-3-5-9-15/h13-14,17H,3-12H2,1-2H3
InChIKeyACJTZBMQOLEOST-UHFFFAOYSA-N
XLogP2.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-dimethyl-1-N-(1-oxaspiro[5.5]undecan-4-yl)pentane-1,3-diamine
CID 115318032
2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid
CID 79894051
N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79897985
methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate
CID 79919397
1-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]cyclopentan-1-ol
CID 114952577
methyl 2-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920105
4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol
CID 114952717
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437
2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
CID 104556896
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79894267
3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol
CID 114761198
3-methoxy-1-N-methyl-1-N-(1-oxaspiro[5.5]undecan-4-yl)propane-1,2-diamine
CID 79920608

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol?
The IUPAC name of 4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol (CID 113499845) is 4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol?
The canonical SMILES for 4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol is CC(O)CCN(C)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol?
The InChIKey is ACJTZBMQOLEOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(17)6-10-16(2)14-7-11-18-15(12-14)8-4-3-5-9-15/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol?
4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol has a molecular weight of 255.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol is sourced from PubChem (CID 113499845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).