N-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine

C10H19F2NO — CID 165462321

IUPACN-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine
SMILESCCC(C)OCC(F)(F)CNC1CC1
InChIInChI=1S/C10H19F2NO/c1-3-8(2)14-7-10(11,12)6-13-9-4-5-9/h8-9,13H,3-7H2,1-2H3
InChIKeyWKJQFNAISYMFIH-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.19
Rot. Bonds7

About N-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine

N-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine (PubChem CID 165462321) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is N-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine
PubChem CID165462321
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC NameN-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine
SMILESCCC(C)OCC(F)(F)CNC1CC1
InChIInChI=1S/C10H19F2NO/c1-3-8(2)14-7-10(11,12)6-13-9-4-5-9/h8-9,13H,3-7H2,1-2H3
InChIKeyWKJQFNAISYMFIH-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine 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 N-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine?
The IUPAC name of N-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine (CID 165462321) is N-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine.
What is the SMILES notation for N-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine?
The canonical SMILES for N-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine is CCC(C)OCC(F)(F)CNC1CC1.
What is the InChIKey of N-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine?
The InChIKey is WKJQFNAISYMFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-3-8(2)14-7-10(11,12)6-13-9-4-5-9/h8-9,13H,3-7H2,1-2H3.
What are the key properties of N-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine?
N-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine has a molecular weight of 207.26 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine is sourced from PubChem (CID 165462321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).