1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol

C12H27NO3 — CID 106991621

IUPAC1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol
SMILESCCCCCN(C)CC(O)COCCOC
InChIInChI=1S/C12H27NO3/c1-4-5-6-7-13(2)10-12(14)11-16-9-8-15-3/h12,14H,4-11H2,1-3H3
InChIKeyHYSHLHFXNGRRGR-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.13
Rot. Bonds11

About 1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol

1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol (PubChem CID 106991621) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol
PubChem CID106991621
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol
SMILESCCCCCN(C)CC(O)COCCOC
InChIInChI=1S/C12H27NO3/c1-4-5-6-7-13(2)10-12(14)11-16-9-8-15-3/h12,14H,4-11H2,1-3H3
InChIKeyHYSHLHFXNGRRGR-UHFFFAOYSA-N
XLogP1.13
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[3-(2-methoxyethoxy)propyl-methylamino]propan-2-ol
CID 103412009
methyl 4-[(3-butoxy-2-hydroxypropyl)-methylamino]butanoate
CID 107264313
1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol
CID 19694651
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid
CID 106991340
1-[2-(2-methoxyethoxy)ethoxy]octan-2-ol
CID 150741605
1-[3-(dimethylamino)propyl-methylamino]-3-methoxypropan-2-ol
CID 63928362
1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
CID 107263774
1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol
CID 81113554
1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62013826
1-(2-methoxyethoxy)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-2-ol
CID 106991901
1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol
CID 106991778
1-chloro-3-[methyl(pentyl)amino]propan-2-ol
CID 112561245

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol (CID 106991621) is 1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol is CCCCCN(C)CC(O)COCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol?
The InChIKey is HYSHLHFXNGRRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-4-5-6-7-13(2)10-12(14)11-16-9-8-15-3/h12,14H,4-11H2,1-3H3.
What are the key properties of 1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol?
1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol has a molecular weight of 233.35 g/mol, XLogP of 1.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol is sourced from PubChem (CID 106991621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).