N-(fluoromethyl)pentan-1-amine

C6H14FN — CID 123301041

IUPACN-(fluoromethyl)pentan-1-amine
SMILESCCCCCNCF
InChIInChI=1S/C6H14FN/c1-2-3-4-5-8-6-7/h8H,2-6H2,1H3
InChIKeyWGVBPTUAIGLOLD-UHFFFAOYSA-N
MW119.18 g/mol
LogP1.69
Rot. Bonds5

About N-(fluoromethyl)pentan-1-amine

N-(fluoromethyl)pentan-1-amine (PubChem CID 123301041) has the molecular formula C6H14FN and a molecular weight of 119.18 g/mol. Its IUPAC name is N-(fluoromethyl)pentan-1-amine.

Molecular Properties

Compound NameN-(fluoromethyl)pentan-1-amine
PubChem CID123301041
Molecular FormulaC6H14FN
Molecular Weight119.18 g/mol
Exact Mass119.11
IUPAC NameN-(fluoromethyl)pentan-1-amine
SMILESCCCCCNCF
InChIInChI=1S/C6H14FN/c1-2-3-4-5-8-6-7/h8H,2-6H2,1H3
InChIKeyWGVBPTUAIGLOLD-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(fluoromethyl)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

Related Compounds

N-(fluoromethyl)hexan-1-amine;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene
CID 87883012
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;hydrochloride
CID 520044
N-pentylpentan-1-amine;sulfane
CID 173223078
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
methane;N-octyloctan-1-amine
CID 87294693
N-butyltetradecan-1-amine
CID 3548872
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669

Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)pentan-1-amine?
The IUPAC name of N-(fluoromethyl)pentan-1-amine (CID 123301041) is N-(fluoromethyl)pentan-1-amine.
What is the SMILES notation for N-(fluoromethyl)pentan-1-amine?
The canonical SMILES for N-(fluoromethyl)pentan-1-amine is CCCCCNCF.
What is the InChIKey of N-(fluoromethyl)pentan-1-amine?
The InChIKey is WGVBPTUAIGLOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN/c1-2-3-4-5-8-6-7/h8H,2-6H2,1H3.
What are the key properties of N-(fluoromethyl)pentan-1-amine?
N-(fluoromethyl)pentan-1-amine has a molecular weight of 119.18 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)pentan-1-amine is sourced from PubChem (CID 123301041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).