3-[(3-fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-1-amine

C11H17FN2 — CID 155745906

IUPAC3-[(3-fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-1-amine
SMILESCC1CC=C(CN2CC(F)C2)C=C1N
InChIInChI=1S/C11H17FN2/c1-8-2-3-9(4-11(8)13)5-14-6-10(12)7-14/h3-4,8,10H,2,5-7,13H2,1H3
InChIKeyDOPGWGIWHNIFCH-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.45
Rot. Bonds2

About 3-[(3-fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-1-amine

3-[(3-fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-1-amine (PubChem CID 155745906) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-[(3-fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-[(3-fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-1-amine
PubChem CID155745906
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name3-[(3-fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-1-amine
SMILESCC1CC=C(CN2CC(F)C2)C=C1N
InChIInChI=1S/C11H17FN2/c1-8-2-3-9(4-11(8)13)5-14-6-10(12)7-14/h3-4,8,10H,2,5-7,13H2,1H3
InChIKeyDOPGWGIWHNIFCH-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3-fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-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 3-[(3-fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-[(3-fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-1-amine (CID 155745906) is 3-[(3-fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-[(3-fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-[(3-fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-1-amine is CC1CC=C(CN2CC(F)C2)C=C1N.
What is the InChIKey of 3-[(3-fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is DOPGWGIWHNIFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-8-2-3-9(4-11(8)13)5-14-6-10(12)7-14/h3-4,8,10H,2,5-7,13H2,1H3.
What are the key properties of 3-[(3-fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-1-amine?
3-[(3-fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 196.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoroazetidin-1-yl)methyl]-6-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 155745906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).