5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine

C11H20FN — CID 131175822

IUPAC5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCCC(C)C(C)N1CCC=C(F)C1
InChIInChI=1S/C11H20FN/c1-4-9(2)10(3)13-7-5-6-11(12)8-13/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyBGVAHVRCHGTZCG-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.98
Rot. Bonds3

About 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine

5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 131175822) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID131175822
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCCC(C)C(C)N1CCC=C(F)C1
InChIInChI=1S/C11H20FN/c1-4-9(2)10(3)13-7-5-6-11(12)8-13/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyBGVAHVRCHGTZCG-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine 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

3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 117848997
1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122642786
(4-Fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium
CID 123839803
4-[(Z)-2-fluoroprop-1-enyl]-1-methylpiperidine
CID 131972841
1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine
CID 134534586
1-(2-fluoropropyl)-2,4-dimethyl-3,6-dihydro-2H-pyridine
CID 142154455
6-ethyl-2,4-difluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 143349263
3-fluoro-1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 145646345
(Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine
CID 146200231
N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine
CID 167018962
(3E,5Z)-N-(2,3-dimethylpentyl)-3-fluoro-N-methylhepta-3,5-dien-2-amine
CID 169898154
6-butan-2-yl-5-fluoro-3-methyl-1-(2-methylpropyl)-3,6-dihydro-2H-pyridine
CID 170144576

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine (CID 131175822) is 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine is CCC(C)C(C)N1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is BGVAHVRCHGTZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-4-9(2)10(3)13-7-5-6-11(12)8-13/h6,9-10H,4-5,7-8H2,1-3H3.
What are the key properties of 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine?
5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 185.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 131175822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).