3,3-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-1-amine

C9H14F2N2 — CID 162580366

IUPAC3,3-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-1-amine
SMILESCC1(C(F)(F)CCN)C=NC=CC1
InChIInChI=1S/C9H14F2N2/c1-8(3-2-6-13-7-8)9(10,11)4-5-12/h2,6-7H,3-5,12H2,1H3
InChIKeyDCPXHRFJHKJBED-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.97
Rot. Bonds3

About 3,3-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-1-amine

3,3-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-1-amine (PubChem CID 162580366) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is 3,3-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-1-amine
PubChem CID162580366
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name3,3-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-1-amine
SMILESCC1(C(F)(F)CCN)C=NC=CC1
InChIInChI=1S/C9H14F2N2/c1-8(3-2-6-13-7-8)9(10,11)4-5-12/h2,6-7H,3-5,12H2,1H3
InChIKeyDCPXHRFJHKJBED-UHFFFAOYSA-N
XLogP1.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-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-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-1-amine?
The IUPAC name of 3,3-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-1-amine (CID 162580366) is 3,3-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-1-amine.
What is the SMILES notation for 3,3-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-1-amine?
The canonical SMILES for 3,3-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-1-amine is CC1(C(F)(F)CCN)C=NC=CC1.
What is the InChIKey of 3,3-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-1-amine?
The InChIKey is DCPXHRFJHKJBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2/c1-8(3-2-6-13-7-8)9(10,11)4-5-12/h2,6-7H,3-5,12H2,1H3.
What are the key properties of 3,3-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-1-amine?
3,3-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-1-amine has a molecular weight of 188.22 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(3-methyl-4H-pyridin-3-yl)propan-1-amine is sourced from PubChem (CID 162580366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).