5-(2,2-difluoro-1-methylcyclopropyl)-N-methylpentan-2-amine

C10H19F2N — CID 121451183

IUPAC5-(2,2-difluoro-1-methylcyclopropyl)-N-methylpentan-2-amine
SMILESCNC(C)CCCC1(C)CC1(F)F
InChIInChI=1S/C10H19F2N/c1-8(13-3)5-4-6-9(2)7-10(9,11)12/h8,13H,4-7H2,1-3H3
InChIKeyBZWLBGZRRAFINA-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.81
Rot. Bonds5

About 5-(2,2-difluoro-1-methylcyclopropyl)-N-methylpentan-2-amine

5-(2,2-difluoro-1-methylcyclopropyl)-N-methylpentan-2-amine (PubChem CID 121451183) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 5-(2,2-difluoro-1-methylcyclopropyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name5-(2,2-difluoro-1-methylcyclopropyl)-N-methylpentan-2-amine
PubChem CID121451183
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name5-(2,2-difluoro-1-methylcyclopropyl)-N-methylpentan-2-amine
SMILESCNC(C)CCCC1(C)CC1(F)F
InChIInChI=1S/C10H19F2N/c1-8(13-3)5-4-6-9(2)7-10(9,11)12/h8,13H,4-7H2,1-3H3
InChIKeyBZWLBGZRRAFINA-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(2,2-difluoro-1-methylcyclopropyl)-N-methylpentan-2-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 5-(2,2-difluoro-1-methylcyclopropyl)-N-methylpentan-2-amine?
The IUPAC name of 5-(2,2-difluoro-1-methylcyclopropyl)-N-methylpentan-2-amine (CID 121451183) is 5-(2,2-difluoro-1-methylcyclopropyl)-N-methylpentan-2-amine.
What is the SMILES notation for 5-(2,2-difluoro-1-methylcyclopropyl)-N-methylpentan-2-amine?
The canonical SMILES for 5-(2,2-difluoro-1-methylcyclopropyl)-N-methylpentan-2-amine is CNC(C)CCCC1(C)CC1(F)F.
What is the InChIKey of 5-(2,2-difluoro-1-methylcyclopropyl)-N-methylpentan-2-amine?
The InChIKey is BZWLBGZRRAFINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-8(13-3)5-4-6-9(2)7-10(9,11)12/h8,13H,4-7H2,1-3H3.
What are the key properties of 5-(2,2-difluoro-1-methylcyclopropyl)-N-methylpentan-2-amine?
5-(2,2-difluoro-1-methylcyclopropyl)-N-methylpentan-2-amine has a molecular weight of 191.26 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoro-1-methylcyclopropyl)-N-methylpentan-2-amine is sourced from PubChem (CID 121451183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).