N-(3-fluoropropyl)-3-methylbut-2-en-1-amine

C8H16FN — CID 106547312

IUPACN-(3-fluoropropyl)-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNCCCF
InChIInChI=1S/C8H16FN/c1-8(2)4-7-10-6-3-5-9/h4,10H,3,5-7H2,1-2H3
InChIKeyIIPCUYUKTXTDST-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.90
Rot. Bonds5

About N-(3-fluoropropyl)-3-methylbut-2-en-1-amine

N-(3-fluoropropyl)-3-methylbut-2-en-1-amine (PubChem CID 106547312) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is N-(3-fluoropropyl)-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-3-methylbut-2-en-1-amine
PubChem CID106547312
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC NameN-(3-fluoropropyl)-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNCCCF
InChIInChI=1S/C8H16FN/c1-8(2)4-7-10-6-3-5-9/h4,10H,3,5-7H2,1-2H3
InChIKeyIIPCUYUKTXTDST-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-3-methylbut-2-en-1-amine?
The IUPAC name of N-(3-fluoropropyl)-3-methylbut-2-en-1-amine (CID 106547312) is N-(3-fluoropropyl)-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-(3-fluoropropyl)-3-methylbut-2-en-1-amine?
The canonical SMILES for N-(3-fluoropropyl)-3-methylbut-2-en-1-amine is CC(C)=CCNCCCF.
What is the InChIKey of N-(3-fluoropropyl)-3-methylbut-2-en-1-amine?
The InChIKey is IIPCUYUKTXTDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-8(2)4-7-10-6-3-5-9/h4,10H,3,5-7H2,1-2H3.
What are the key properties of N-(3-fluoropropyl)-3-methylbut-2-en-1-amine?
N-(3-fluoropropyl)-3-methylbut-2-en-1-amine has a molecular weight of 145.22 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-3-methylbut-2-en-1-amine is sourced from PubChem (CID 106547312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).