3-[[ethyl(propyl)amino]methyl]-8-(1-hydroxy-2-methylpropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-en-6-ol

C18H33NO4 — CID 169451947

IUPAC3-[[ethyl(propyl)amino]methyl]-8-(1-hydroxy-2-methylpropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-en-6-ol
SMILESCCCN(CC)CC1COC2(CCC(C(C)(C)CO)C=C2O)O1
InChIInChI=1S/C18H33NO4/c1-5-9-19(6-2)11-15-12-22-18(23-15)8-7-14(10-16(18)21)17(3,4)13-20/h10,14-15,20-21H,5-9,11-13H2,1-4H3
InChIKeyPANLZAQLUKVQIP-UHFFFAOYSA-N
MW327.47 g/mol
LogP2.70
Rot. Bonds7

About 3-[[ethyl(propyl)amino]methyl]-8-(1-hydroxy-2-methylpropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-en-6-ol

3-[[ethyl(propyl)amino]methyl]-8-(1-hydroxy-2-methylpropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-en-6-ol (PubChem CID 169451947) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-[[ethyl(propyl)amino]methyl]-8-(1-hydroxy-2-methylpropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-en-6-ol.

Molecular Properties

Compound Name3-[[ethyl(propyl)amino]methyl]-8-(1-hydroxy-2-methylpropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-en-6-ol
PubChem CID169451947
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Name3-[[ethyl(propyl)amino]methyl]-8-(1-hydroxy-2-methylpropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-en-6-ol
SMILESCCCN(CC)CC1COC2(CCC(C(C)(C)CO)C=C2O)O1
InChIInChI=1S/C18H33NO4/c1-5-9-19(6-2)11-15-12-22-18(23-15)8-7-14(10-16(18)21)17(3,4)13-20/h10,14-15,20-21H,5-9,11-13H2,1-4H3
InChIKeyPANLZAQLUKVQIP-UHFFFAOYSA-N
XLogP2.70
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[ethyl(propyl)amino]methyl]-1,4-dioxaspiro[4.5]dec-6-en-8-yl]-2-methylpropane-1,3-diol
CID 169451722
N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine;sulfane
CID 174604657
3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol
CID 116523456
(Z)-1-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl-propylamino]ethene-1,2-diol
CID 169451826
N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine
CID 102992625
N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride
CID 174335723
2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol
CID 113476285
2-(cyclopropylamino)-6-[ethyl(propyl)amino]-2-methylhexan-1-ol
CID 64797663
1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine
CID 142064985
5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866669
3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-ol
CID 62270214
1-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl-ethylamino]-1-hydroxypropan-2-one
CID 169451451

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(propyl)amino]methyl]-8-(1-hydroxy-2-methylpropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-en-6-ol?
The IUPAC name of 3-[[ethyl(propyl)amino]methyl]-8-(1-hydroxy-2-methylpropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-en-6-ol (CID 169451947) is 3-[[ethyl(propyl)amino]methyl]-8-(1-hydroxy-2-methylpropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-en-6-ol.
What is the SMILES notation for 3-[[ethyl(propyl)amino]methyl]-8-(1-hydroxy-2-methylpropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-en-6-ol?
The canonical SMILES for 3-[[ethyl(propyl)amino]methyl]-8-(1-hydroxy-2-methylpropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-en-6-ol is CCCN(CC)CC1COC2(CCC(C(C)(C)CO)C=C2O)O1.
What is the InChIKey of 3-[[ethyl(propyl)amino]methyl]-8-(1-hydroxy-2-methylpropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-en-6-ol?
The InChIKey is PANLZAQLUKVQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO4/c1-5-9-19(6-2)11-15-12-22-18(23-15)8-7-14(10-16(18)21)17(3,4)13-20/h10,14-15,20-21H,5-9,11-13H2,1-4H3.
What are the key properties of 3-[[ethyl(propyl)amino]methyl]-8-(1-hydroxy-2-methylpropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-en-6-ol?
3-[[ethyl(propyl)amino]methyl]-8-(1-hydroxy-2-methylpropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-en-6-ol has a molecular weight of 327.47 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(propyl)amino]methyl]-8-(1-hydroxy-2-methylpropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-en-6-ol is sourced from PubChem (CID 169451947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).