4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol

C16H31NO2 — CID 106147150

IUPAC4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol
SMILESCC(C)(CCCO)CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C16H31NO2/c1-15(2,7-5-10-18)13-17-14-6-11-19-16(12-14)8-3-4-9-16/h14,17-18H,3-13H2,1-2H3
InChIKeyOFUUZYDXDMYWPF-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.87
Rot. Bonds6

About 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol

4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol (PubChem CID 106147150) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol
PubChem CID106147150
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol
SMILESCC(C)(CCCO)CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C16H31NO2/c1-15(2,7-5-10-18)13-17-14-6-11-19-16(12-14)8-3-4-9-16/h14,17-18H,3-13H2,1-2H3
InChIKeyOFUUZYDXDMYWPF-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol
CID 106247069
2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol
CID 106176373
3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol
CID 115359952
4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol
CID 106144327
N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine
CID 114616860
N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine
CID 106291931
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine
CID 115519107
2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79904025
[1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol
CID 103966384
6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol
CID 107851771
N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine
CID 106328755

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol (CID 106147150) is 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol is CC(C)(CCCO)CNC1CCOC2(CCCC2)C1.
What is the InChIKey of 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol?
The InChIKey is OFUUZYDXDMYWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-15(2,7-5-10-18)13-17-14-6-11-19-16(12-14)8-3-4-9-16/h14,17-18H,3-13H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol?
4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol is sourced from PubChem (CID 106147150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).