N-(3-fluoropropyl)-1-methoxy-3-methylbutan-2-amine

C9H20FNO — CID 81107197

IUPACN-(3-fluoropropyl)-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCCCF)C(C)C
InChIInChI=1S/C9H20FNO/c1-8(2)9(7-12-3)11-6-4-5-10/h8-9,11H,4-7H2,1-3H3
InChIKeyDEIURAINXDWDHG-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.61
Rot. Bonds7

About N-(3-fluoropropyl)-1-methoxy-3-methylbutan-2-amine

N-(3-fluoropropyl)-1-methoxy-3-methylbutan-2-amine (PubChem CID 81107197) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is N-(3-fluoropropyl)-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-1-methoxy-3-methylbutan-2-amine
PubChem CID81107197
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC NameN-(3-fluoropropyl)-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCCCF)C(C)C
InChIInChI=1S/C9H20FNO/c1-8(2)9(7-12-3)11-6-4-5-10/h8-9,11H,4-7H2,1-3H3
InChIKeyDEIURAINXDWDHG-UHFFFAOYSA-N
XLogP1.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-fluoropropyl)-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-(3-fluoropropyl)-1-methoxy-3-methylbutan-2-amine (CID 81107197) is N-(3-fluoropropyl)-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-(3-fluoropropyl)-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-(3-fluoropropyl)-1-methoxy-3-methylbutan-2-amine is COCC(NCCCF)C(C)C.
What is the InChIKey of N-(3-fluoropropyl)-1-methoxy-3-methylbutan-2-amine?
The InChIKey is DEIURAINXDWDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-8(2)9(7-12-3)11-6-4-5-10/h8-9,11H,4-7H2,1-3H3.
What are the key properties of N-(3-fluoropropyl)-1-methoxy-3-methylbutan-2-amine?
N-(3-fluoropropyl)-1-methoxy-3-methylbutan-2-amine has a molecular weight of 177.26 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 81107197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).