N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine

C12H27NO3 — CID 155331327

IUPACN-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine
SMILESCCCOCCOCCOCCCCNC
InChIInChI=1S/C12H27NO3/c1-3-7-14-9-11-16-12-10-15-8-5-4-6-13-2/h13H,3-12H2,1-2H3
InChIKeyDJHQETNAFPSGSA-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.45
Rot. Bonds13

About N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine

N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine (PubChem CID 155331327) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine
PubChem CID155331327
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC NameN-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine
SMILESCCCOCCOCCOCCCCNC
InChIInChI=1S/C12H27NO3/c1-3-7-14-9-11-16-12-10-15-8-5-4-6-13-2/h13H,3-12H2,1-2H3
InChIKeyDJHQETNAFPSGSA-UHFFFAOYSA-N
XLogP1.45
TPSA39.72 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 ≤ 51.45
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

1,4-dipropoxybutane;N-methylpentadecan-1-amine
CID 161325834
N-methyl-3-propoxypropan-1-amine;molecular hydrogen
CID 156802558
4-(6-hexoxyhexoxy)-N-methylbutan-1-amine
CID 164959438
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 129308437
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane
CID 166139470
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine
CID 103406579
ethane;1-(2-propoxyethoxy)butane
CID 164535746
N-methyl-2-octadecoxyethanamine
CID 175550654
2-decoxy-N-methylethanamine
CID 62337581
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine?
The IUPAC name of N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine (CID 155331327) is N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine.
What is the SMILES notation for N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine?
The canonical SMILES for N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine is CCCOCCOCCOCCCCNC.
What is the InChIKey of N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine?
The InChIKey is DJHQETNAFPSGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-3-7-14-9-11-16-12-10-15-8-5-4-6-13-2/h13H,3-12H2,1-2H3.
What are the key properties of N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine?
N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 1.45, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine is sourced from PubChem (CID 155331327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).