N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine

C11H15FN2 — CID 103527914

IUPACN-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNCc1cncc(F)c1
InChIInChI=1S/C11H15FN2/c1-9(2)3-4-13-6-10-5-11(12)8-14-7-10/h3,5,7-8,13H,4,6H2,1-2H3
InChIKeyHAFBBDQVWCQJRR-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.28
Rot. Bonds4

About N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine

N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine (PubChem CID 103527914) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine
PubChem CID103527914
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC NameN-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNCc1cncc(F)c1
InChIInChI=1S/C11H15FN2/c1-9(2)3-4-13-6-10-5-11(12)8-14-7-10/h3,5,7-8,13H,4,6H2,1-2H3
InChIKeyHAFBBDQVWCQJRR-UHFFFAOYSA-N
XLogP2.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-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-[(5-bromo-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine
CID 103527851
N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide
CID 104953358
N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine
CID 104953752
N-[(5-fluoro-3-pyridinyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 104953835
N-[(3,5-dimethylphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527856
N-[(5-fluoro-3-pyridinyl)methyl]-2-methylsulfinylethanamine
CID 104953724
4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde
CID 134293937
1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol
CID 104953695
2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 104953775
3-[(5-fluoro-3-pyridinyl)methylamino]propanamide
CID 104953901
1-N-[(5-fluoro-3-pyridinyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104953350
5-fluoropyridine-3-carbaldehyde;1-(5-fluoro-3-pyridinyl)-N-methylmethanamine;methane
CID 158330652

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine?
The IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine (CID 103527914) is N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine?
The canonical SMILES for N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine is CC(C)=CCNCc1cncc(F)c1.
What is the InChIKey of N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine?
The InChIKey is HAFBBDQVWCQJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-9(2)3-4-13-6-10-5-11(12)8-14-7-10/h3,5,7-8,13H,4,6H2,1-2H3.
What are the key properties of N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine?
N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine has a molecular weight of 194.25 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine is sourced from PubChem (CID 103527914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).