N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine

C14H31NO3 — CID 103406524

IUPACN-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine
SMILESCOCCOCCCOCCCCNC(C)(C)C
InChIInChI=1S/C14H31NO3/c1-14(2,3)15-8-5-6-9-17-10-7-11-18-13-12-16-4/h15H,5-13H2,1-4H3
InChIKeyAPIQTEZLEWKMAO-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.22
Rot. Bonds12

About N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine

N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine (PubChem CID 103406524) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine
PubChem CID103406524
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC NameN-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine
SMILESCOCCOCCCOCCCCNC(C)(C)C
InChIInChI=1S/C14H31NO3/c1-14(2,3)15-8-5-6-9-17-10-7-11-18-13-12-16-4/h15H,5-13H2,1-4H3
InChIKeyAPIQTEZLEWKMAO-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.22
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

N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine
CID 103401793
N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424
N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine
CID 138672241
N-[2-[3-[2-[2-(tert-butylamino)ethoxy]ethoxy]propoxy]ethyl]-2-methylpropan-2-amine
CID 129102277
N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine
CID 118912417
N-tert-butyl-4-(2-propan-2-yloxyethoxy)butan-1-amine
CID 62457092
6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine
CID 103406579
N-[3-[2-(2-butoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274543
N-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274546
N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine
CID 155219490
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
N-tert-butyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958390

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine?
The IUPAC name of N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine (CID 103406524) is N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine?
The canonical SMILES for N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine is COCCOCCCOCCCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine?
The InChIKey is APIQTEZLEWKMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-14(2,3)15-8-5-6-9-17-10-7-11-18-13-12-16-4/h15H,5-13H2,1-4H3.
What are the key properties of N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine?
N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.22, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine is sourced from PubChem (CID 103406524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).