N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine

C13H24F2N2 — CID 176601714

IUPACN-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine
SMILESCC(C)N(CC1NCCC1(F)F)C1CCCC1
InChIInChI=1S/C13H24F2N2/c1-10(2)17(11-5-3-4-6-11)9-12-13(14,15)7-8-16-12/h10-12,16H,3-9H2,1-2H3
InChIKeyULWWFHHVFYBONC-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.64
Rot. Bonds4

About N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine

N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine (PubChem CID 176601714) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine.

Molecular Properties

Compound NameN-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine
PubChem CID176601714
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC NameN-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine
SMILESCC(C)N(CC1NCCC1(F)F)C1CCCC1
InChIInChI=1S/C13H24F2N2/c1-10(2)17(11-5-3-4-6-11)9-12-13(14,15)7-8-16-12/h10-12,16H,3-9H2,1-2H3
InChIKeyULWWFHHVFYBONC-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[cyclopentyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione
CID 176601035
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine
CID 176600925
4,4-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106622300
2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione
CID 176601985
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride
CID 119932017
N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 176601263
2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
CID 176601617
1-ethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpiperidin-4-amine
CID 106622124
N-(piperidin-2-ylmethyl)-N-propan-2-yloxetan-3-amine
CID 176601027
N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 106632077
8-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 106621974
4,4-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106624301

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine?
The IUPAC name of N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine (CID 176601714) is N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine.
What is the SMILES notation for N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine?
The canonical SMILES for N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine is CC(C)N(CC1NCCC1(F)F)C1CCCC1.
What is the InChIKey of N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine?
The InChIKey is ULWWFHHVFYBONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-10(2)17(11-5-3-4-6-11)9-12-13(14,15)7-8-16-12/h10-12,16H,3-9H2,1-2H3.
What are the key properties of N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine?
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine has a molecular weight of 246.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine is sourced from PubChem (CID 176601714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).