1-hexoxy-3-methoxy-N-methylpropan-2-amine

C11H25NO2 — CID 107506726

IUPAC1-hexoxy-3-methoxy-N-methylpropan-2-amine
SMILESCCCCCCOCC(COC)NC
InChIInChI=1S/C11H25NO2/c1-4-5-6-7-8-14-10-11(12-2)9-13-3/h11-12H,4-10H2,1-3H3
InChIKeyCOFKMBUXPOYFQI-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.82
Rot. Bonds10

About 1-hexoxy-3-methoxy-N-methylpropan-2-amine

1-hexoxy-3-methoxy-N-methylpropan-2-amine (PubChem CID 107506726) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-hexoxy-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-hexoxy-3-methoxy-N-methylpropan-2-amine
PubChem CID107506726
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-hexoxy-3-methoxy-N-methylpropan-2-amine
SMILESCCCCCCOCC(COC)NC
InChIInChI=1S/C11H25NO2/c1-4-5-6-7-8-14-10-11(12-2)9-13-3/h11-12H,4-10H2,1-3H3
InChIKeyCOFKMBUXPOYFQI-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-N-methyl-3-(2-propoxyethoxy)propan-2-amine
CID 107506859
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
CID 176738271
N-methyl-6-octoxyhexan-3-amine
CID 106800853
6-ethoxy-1-methoxy-N-methylhexan-2-amine
CID 65180928
1-methoxy-N-methyl-5-propoxypentan-2-amine
CID 106454502
1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol
CID 64804616
1-hexoxy-N-propylbutan-2-amine
CID 62039776
CID 159860963
CID 159860963
1-ethoxy-N-methyltridecan-2-amine
CID 105008040
N-ethyl-1-pentoxybutan-2-amine
CID 62038519

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-hexoxy-3-methoxy-N-methylpropan-2-amine (CID 107506726) is 1-hexoxy-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-hexoxy-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-hexoxy-3-methoxy-N-methylpropan-2-amine is CCCCCCOCC(COC)NC.
What is the InChIKey of 1-hexoxy-3-methoxy-N-methylpropan-2-amine?
The InChIKey is COFKMBUXPOYFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-5-6-7-8-14-10-11(12-2)9-13-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-hexoxy-3-methoxy-N-methylpropan-2-amine?
1-hexoxy-3-methoxy-N-methylpropan-2-amine has a molecular weight of 203.33 g/mol, XLogP of 1.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 107506726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).