3-[ethyl(methyl)amino]-4-methoxy-2-methylpent-4-en-1-ol

C10H21NO2 — CID 167073994

IUPAC3-[ethyl(methyl)amino]-4-methoxy-2-methylpent-4-en-1-ol
SMILESC=C(OC)C(C(C)CO)N(C)CC
InChIInChI=1S/C10H21NO2/c1-6-11(4)10(8(2)7-12)9(3)13-5/h8,10,12H,3,6-7H2,1-2,4-5H3
InChIKeyHFCDFDHMWKNWIL-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.10
Rot. Bonds6

About 3-[ethyl(methyl)amino]-4-methoxy-2-methylpent-4-en-1-ol

3-[ethyl(methyl)amino]-4-methoxy-2-methylpent-4-en-1-ol (PubChem CID 167073994) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]-4-methoxy-2-methylpent-4-en-1-ol.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]-4-methoxy-2-methylpent-4-en-1-ol
PubChem CID167073994
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-[ethyl(methyl)amino]-4-methoxy-2-methylpent-4-en-1-ol
SMILESC=C(OC)C(C(C)CO)N(C)CC
InChIInChI=1S/C10H21NO2/c1-6-11(4)10(8(2)7-12)9(3)13-5/h8,10,12H,3,6-7H2,1-2,4-5H3
InChIKeyHFCDFDHMWKNWIL-UHFFFAOYSA-N
XLogP1.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid
CID 143677823
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CID 88665747
N-ethyl-N,3-dimethylpentan-2-amine
CID 89053898
ethene;N-ethyl-N-methylpropan-2-amine
CID 144977253
2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol
CID 115772235
N-ethyl-1-methoxy-N-methylpropan-2-amine
CID 142890650
2-methoxy-3-methylbut-1-ene;molecular hydrogen
CID 159874902
methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552508
(3S)-N,N,3,4-tetramethylhex-1-en-2-amine
CID 142994233
(2R)-3-methoxy-N-methylbut-3-en-2-amine
CID 178015260
(2S,3R)-2,4-dimethylhexane-1,3-diol
CID 130918298
(2S,3R,4S)-2,4-dimethylhexane-1,3-diol
CID 10931577

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)amino]-4-methoxy-2-methylpent-4-en-1-ol?
The IUPAC name of 3-[ethyl(methyl)amino]-4-methoxy-2-methylpent-4-en-1-ol (CID 167073994) is 3-[ethyl(methyl)amino]-4-methoxy-2-methylpent-4-en-1-ol.
What is the SMILES notation for 3-[ethyl(methyl)amino]-4-methoxy-2-methylpent-4-en-1-ol?
The canonical SMILES for 3-[ethyl(methyl)amino]-4-methoxy-2-methylpent-4-en-1-ol is C=C(OC)C(C(C)CO)N(C)CC.
What is the InChIKey of 3-[ethyl(methyl)amino]-4-methoxy-2-methylpent-4-en-1-ol?
The InChIKey is HFCDFDHMWKNWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-11(4)10(8(2)7-12)9(3)13-5/h8,10,12H,3,6-7H2,1-2,4-5H3.
What are the key properties of 3-[ethyl(methyl)amino]-4-methoxy-2-methylpent-4-en-1-ol?
3-[ethyl(methyl)amino]-4-methoxy-2-methylpent-4-en-1-ol has a molecular weight of 187.28 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]-4-methoxy-2-methylpent-4-en-1-ol is sourced from PubChem (CID 167073994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).