N-(3-fluoroprop-2-enyl)pentan-1-amine

C8H16FN — CID 173269285

IUPACN-(3-fluoroprop-2-enyl)pentan-1-amine
SMILESCCCCCNCC=CF
InChIInChI=1S/C8H16FN/c1-2-3-4-7-10-8-5-6-9/h5-6,10H,2-4,7-8H2,1H3
InChIKeyNQHNTRJHSLIWMK-UHFFFAOYSA-N
MW145.22 g/mol
LogP2.25
Rot. Bonds6

About N-(3-fluoroprop-2-enyl)pentan-1-amine

N-(3-fluoroprop-2-enyl)pentan-1-amine (PubChem CID 173269285) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is N-(3-fluoroprop-2-enyl)pentan-1-amine.

Molecular Properties

Compound NameN-(3-fluoroprop-2-enyl)pentan-1-amine
PubChem CID173269285
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC NameN-(3-fluoroprop-2-enyl)pentan-1-amine
SMILESCCCCCNCC=CF
InChIInChI=1S/C8H16FN/c1-2-3-4-7-10-8-5-6-9/h5-6,10H,2-4,7-8H2,1H3
InChIKeyNQHNTRJHSLIWMK-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-fluoroprop-2-enyl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoroprop-2-enyl)pentan-1-amine?
The IUPAC name of N-(3-fluoroprop-2-enyl)pentan-1-amine (CID 173269285) is N-(3-fluoroprop-2-enyl)pentan-1-amine.
What is the SMILES notation for N-(3-fluoroprop-2-enyl)pentan-1-amine?
The canonical SMILES for N-(3-fluoroprop-2-enyl)pentan-1-amine is CCCCCNCC=CF.
What is the InChIKey of N-(3-fluoroprop-2-enyl)pentan-1-amine?
The InChIKey is NQHNTRJHSLIWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-2-3-4-7-10-8-5-6-9/h5-6,10H,2-4,7-8H2,1H3.
What are the key properties of N-(3-fluoroprop-2-enyl)pentan-1-amine?
N-(3-fluoroprop-2-enyl)pentan-1-amine has a molecular weight of 145.22 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoroprop-2-enyl)pentan-1-amine is sourced from PubChem (CID 173269285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).