6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine

C12H27NO3 — CID 103177211

IUPAC6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine
SMILESCOCCCOCCOCCCCC(C)N
InChIInChI=1S/C12H27NO3/c1-12(13)6-3-4-8-15-10-11-16-9-5-7-14-2/h12H,3-11,13H2,1-2H3
InChIKeyPPZCWZBFJLBPSN-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.57
Rot. Bonds12

About 6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine

6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine (PubChem CID 103177211) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine.

Molecular Properties

Compound Name6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine
PubChem CID103177211
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine
SMILESCOCCCOCCOCCCCC(C)N
InChIInChI=1S/C12H27NO3/c1-12(13)6-3-4-8-15-10-11-16-9-5-7-14-2/h12H,3-11,13H2,1-2H3
InChIKeyPPZCWZBFJLBPSN-UHFFFAOYSA-N
XLogP1.57
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.57
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

(2S)-5-methoxypentan-2-amine
CID 93315322
2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate
CID 103178676
1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine
CID 103184111
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
6-(2-methoxyethoxy)-3-methylhexan-2-amine
CID 103410671
1-[2-(3-methoxypropoxy)ethylsulfanyl]propan-2-amine
CID 103180189
2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103175799
N-[(5S)-5-aminohexyl]-2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 172551422

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine?
The IUPAC name of 6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine (CID 103177211) is 6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine.
What is the SMILES notation for 6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine?
The canonical SMILES for 6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine is COCCCOCCOCCCCC(C)N.
What is the InChIKey of 6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine?
The InChIKey is PPZCWZBFJLBPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-12(13)6-3-4-8-15-10-11-16-9-5-7-14-2/h12H,3-11,13H2,1-2H3.
What are the key properties of 6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine?
6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 1.57, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine is sourced from PubChem (CID 103177211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).