6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine

C12H27NO3 — CID 103406276

IUPAC6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine
SMILESCOCCOCCCOCCCCCCN
InChIInChI=1S/C12H27NO3/c1-14-11-12-16-10-6-9-15-8-5-3-2-4-7-13/h2-13H2,1H3
InChIKeyWJUULASZTCEJBC-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.58
Rot. Bonds13

About 6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine

6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine (PubChem CID 103406276) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine.

Molecular Properties

Compound Name6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine
PubChem CID103406276
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine
SMILESCOCCOCCCOCCCCCCN
InChIInChI=1S/C12H27NO3/c1-14-11-12-16-10-6-9-15-8-5-3-2-4-7-13/h2-13H2,1H3
InChIKeyWJUULASZTCEJBC-UHFFFAOYSA-N
XLogP1.58
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.58
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

6-[2-(2-methoxyethoxy)ethoxy]hexan-1-amine
CID 104566819
2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine
CID 146320426
2-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]ethanamine
CID 103482612
ethane;4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine;molecular hydrogen;propane
CID 142385980
1,8-bis(2-methoxyethoxy)octane
CID 143118909
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103175799
2-(3-methoxypropoxy)ethyl 6-aminohexanoate
CID 103178476
methane;7-methoxyheptan-1-amine
CID 160693233

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine?
The IUPAC name of 6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine (CID 103406276) is 6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine.
What is the SMILES notation for 6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine?
The canonical SMILES for 6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine is COCCOCCCOCCCCCCN.
What is the InChIKey of 6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine?
The InChIKey is WJUULASZTCEJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-14-11-12-16-10-6-9-15-8-5-3-2-4-7-13/h2-13H2,1H3.
What are the key properties of 6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine?
6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 1.58, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine is sourced from PubChem (CID 103406276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).