N-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine

C15H31F2NO3 — CID 146574409

IUPACN-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine
SMILESCC(C)OCCOCCOCC(F)(F)CCNC(C)(C)C
InChIInChI=1S/C15H31F2NO3/c1-13(2)21-11-10-19-8-9-20-12-15(16,17)6-7-18-14(3,4)5/h13,18H,6-12H2,1-5H3
InChIKeyYVSDOAXXVQBSGY-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.86
Rot. Bonds12

About N-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine

N-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine (PubChem CID 146574409) has the molecular formula C15H31F2NO3 and a molecular weight of 311.41 g/mol. Its IUPAC name is N-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine
PubChem CID146574409
Molecular FormulaC15H31F2NO3
Molecular Weight311.41 g/mol
Exact Mass311.23
IUPAC NameN-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine
SMILESCC(C)OCCOCCOCC(F)(F)CCNC(C)(C)C
InChIInChI=1S/C15H31F2NO3/c1-13(2)21-11-10-19-8-9-20-12-15(16,17)6-7-18-14(3,4)5/h13,18H,6-12H2,1-5H3
InChIKeyYVSDOAXXVQBSGY-UHFFFAOYSA-N
XLogP2.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine?
The IUPAC name of N-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine (CID 146574409) is N-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine.
What is the SMILES notation for N-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine?
The canonical SMILES for N-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine is CC(C)OCCOCCOCC(F)(F)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine?
The InChIKey is YVSDOAXXVQBSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F2NO3/c1-13(2)21-11-10-19-8-9-20-12-15(16,17)6-7-18-14(3,4)5/h13,18H,6-12H2,1-5H3.
What are the key properties of N-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine?
N-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine has a molecular weight of 311.41 g/mol, XLogP of 2.86, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine is sourced from PubChem (CID 146574409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).