1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol

C12H27NO3 — CID 106292550

IUPAC1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCCOCCCOC
InChIInChI=1S/C12H27NO3/c1-4-6-12(2,14)11-13-7-10-16-9-5-8-15-3/h13-14H,4-11H2,1-3H3
InChIKeyZEAKRFJLBYCPQV-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.18
Rot. Bonds11

About 1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol

1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol (PubChem CID 106292550) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol
PubChem CID106292550
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCCOCCCOC
InChIInChI=1S/C12H27NO3/c1-4-6-12(2,14)11-13-7-10-16-9-5-8-15-3/h13-14H,4-11H2,1-3H3
InChIKeyZEAKRFJLBYCPQV-UHFFFAOYSA-N
XLogP1.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-methoxypropoxy)ethylamino]-2-methylpropan-2-ol
CID 103179086
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol
CID 106292488
N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
CID 103179208
1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol
CID 104985809
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol
CID 113426999
4-chloro-N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylbutan-1-amine
CID 106140042
1-(2-methoxyethoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335939
1-methoxy-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 62774154
3-[(2-butoxyethylamino)methyl]pentan-3-ol
CID 65111219
2-[2-(3-methoxypropoxy)ethylamino]-2-methylpentanoic acid
CID 103181243
1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol
CID 106147594
N-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 103179174

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol (CID 106292550) is 1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol is CCCC(C)(O)CNCCOCCCOC.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol?
The InChIKey is ZEAKRFJLBYCPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-4-6-12(2,14)11-13-7-10-16-9-5-8-15-3/h13-14H,4-11H2,1-3H3.
What are the key properties of 1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol?
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol has a molecular weight of 233.35 g/mol, XLogP of 1.18, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol is sourced from PubChem (CID 106292550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).