3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-difluoropropan-1-amine

C10H18F2N2 — CID 130894370

IUPAC3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-difluoropropan-1-amine
SMILESCC1=C(C)CN(CC(F)(F)CN)CC1
InChIInChI=1S/C10H18F2N2/c1-8-3-4-14(5-9(8)2)7-10(11,12)6-13/h3-7,13H2,1-2H3
InChIKeySEJFFFIIGPPJLZ-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.62
Rot. Bonds3

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

3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-difluoropropan-1-amine (PubChem CID 130894370) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-difluoropropan-1-amine
PubChem CID130894370
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-difluoropropan-1-amine
SMILESCC1=C(C)CN(CC(F)(F)CN)CC1
InChIInChI=1S/C10H18F2N2/c1-8-3-4-14(5-9(8)2)7-10(11,12)6-13/h3-7,13H2,1-2H3
InChIKeySEJFFFIIGPPJLZ-UHFFFAOYSA-N
XLogP1.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-difluoropropan-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-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-difluoropropan-1-amine?
The IUPAC name of 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-difluoropropan-1-amine (CID 130894370) is 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-difluoropropan-1-amine.
What is the SMILES notation for 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-difluoropropan-1-amine?
The canonical SMILES for 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-difluoropropan-1-amine is CC1=C(C)CN(CC(F)(F)CN)CC1.
What is the InChIKey of 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-difluoropropan-1-amine?
The InChIKey is SEJFFFIIGPPJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-8-3-4-14(5-9(8)2)7-10(11,12)6-13/h3-7,13H2,1-2H3.
What are the key properties of 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-difluoropropan-1-amine?
3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-difluoropropan-1-amine has a molecular weight of 204.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-difluoropropan-1-amine is sourced from PubChem (CID 130894370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).