4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine

C9H17FN2 — CID 174381181

IUPAC4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
SMILESNCCCCN1CCC=C(F)C1
InChIInChI=1S/C9H17FN2/c10-9-4-3-7-12(8-9)6-2-1-5-11/h4H,1-3,5-8,11H2
InChIKeyRLWBAVKNXOGPOY-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.28
Rot. Bonds4

About 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine

4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine (PubChem CID 174381181) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
PubChem CID174381181
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
SMILESNCCCCN1CCC=C(F)C1
InChIInChI=1S/C9H17FN2/c10-9-4-3-7-12(8-9)6-2-1-5-11/h4H,1-3,5-8,11H2
InChIKeyRLWBAVKNXOGPOY-UHFFFAOYSA-N
XLogP1.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.28
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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Related Compounds

4-Fluoro-1,2,3,6-tetrahydropyridine
CID 15895241
5-Fluoro-1,2,3,6-tetrahydropyridine
CID 75480349
3,3,3-trifluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]propan-1-amine
CID 103366475
Fluoro(1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 105427521
fluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 105428659
2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
CID 105431028
6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113591674
2-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 114489668
5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 114489671
3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 114489697
4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 114489703
(E)-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-amine
CID 114490000

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
The IUPAC name of 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine (CID 174381181) is 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine.
What is the SMILES notation for 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
The canonical SMILES for 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine is NCCCCN1CCC=C(F)C1.
What is the InChIKey of 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
The InChIKey is RLWBAVKNXOGPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c10-9-4-3-7-12(8-9)6-2-1-5-11/h4H,1-3,5-8,11H2.
What are the key properties of 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine has a molecular weight of 172.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine is sourced from PubChem (CID 174381181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).