ethane;1-[1-methoxypent-4-enyl(methyl)amino]oxyethanol

C11H25NO3 — CID 143366439

IUPACethane;1-[1-methoxypent-4-enyl(methyl)amino]oxyethanol
SMILESC=CCCC(OC)N(C)OC(C)O.CC
InChIInChI=1S/C9H19NO3.C2H6/c1-5-6-7-9(12-4)10(3)13-8(2)11;1-2/h5,8-9,11H,1,6-7H2,2-4H3;1-2H3
InChIKeyZCCUYOZVFWPQFW-UHFFFAOYSA-N
MW219.32 g/mol
LogP2.15
Rot. Bonds7

About ethane;1-[1-methoxypent-4-enyl(methyl)amino]oxyethanol

ethane;1-[1-methoxypent-4-enyl(methyl)amino]oxyethanol (PubChem CID 143366439) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is ethane;1-[1-methoxypent-4-enyl(methyl)amino]oxyethanol.

Molecular Properties

Compound Nameethane;1-[1-methoxypent-4-enyl(methyl)amino]oxyethanol
PubChem CID143366439
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Nameethane;1-[1-methoxypent-4-enyl(methyl)amino]oxyethanol
SMILESC=CCCC(OC)N(C)OC(C)O.CC
InChIInChI=1S/C9H19NO3.C2H6/c1-5-6-7-9(12-4)10(3)13-8(2)11;1-2/h5,8-9,11H,1,6-7H2,2-4H3;1-2H3
InChIKeyZCCUYOZVFWPQFW-UHFFFAOYSA-N
XLogP2.15
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-6-methylhept-1-ene
CID 23385176
4-[but-3-enyl(methyl)amino]butan-2-ol
CID 115665768
(2R,3S)-hept-6-ene-2,3-diol
CID 102384670
hex-5-en-2-yl(trimethoxy)silane
CID 22907711
3-methoxyhept-6-en-2-one
CID 45085639
1-methoxydec-9-ene-3,6-diol
CID 91577196
2-methyloct-7-ene-3,4-diol
CID 103456684
butane;ethane;5-methylhept-1-ene
CID 143370195
bis(buta-1,3-diene);5-methylhex-1-ene
CID 174724270
1-(dimethylamino)hex-5-en-1-ol
CID 145136938
5,9-dimethyldeca-1,8-diene
CID 12578605
(2S,3S)-3-methylhept-6-ene-1,2-diol
CID 102243304

Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-methoxypent-4-enyl(methyl)amino]oxyethanol?
The IUPAC name of ethane;1-[1-methoxypent-4-enyl(methyl)amino]oxyethanol (CID 143366439) is ethane;1-[1-methoxypent-4-enyl(methyl)amino]oxyethanol.
What is the SMILES notation for ethane;1-[1-methoxypent-4-enyl(methyl)amino]oxyethanol?
The canonical SMILES for ethane;1-[1-methoxypent-4-enyl(methyl)amino]oxyethanol is C=CCCC(OC)N(C)OC(C)O.CC.
What is the InChIKey of ethane;1-[1-methoxypent-4-enyl(methyl)amino]oxyethanol?
The InChIKey is ZCCUYOZVFWPQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3.C2H6/c1-5-6-7-9(12-4)10(3)13-8(2)11;1-2/h5,8-9,11H,1,6-7H2,2-4H3;1-2H3.
What are the key properties of ethane;1-[1-methoxypent-4-enyl(methyl)amino]oxyethanol?
ethane;1-[1-methoxypent-4-enyl(methyl)amino]oxyethanol has a molecular weight of 219.32 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[1-methoxypent-4-enyl(methyl)amino]oxyethanol is sourced from PubChem (CID 143366439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).