N-[(4-fluoropyrrolidin-3-yl)methyl]cyclopropanamine

C8H15FN2 — CID 23062073

IUPACN-[(4-fluoropyrrolidin-3-yl)methyl]cyclopropanamine
SMILESFC1CNCC1CNC1CC1
InChIInChI=1S/C8H15FN2/c9-8-5-10-3-6(8)4-11-7-1-2-7/h6-8,10-11H,1-5H2
InChIKeyQZFXTAVCZYQMQZ-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.30
Rot. Bonds3

About N-[(4-fluoropyrrolidin-3-yl)methyl]cyclopropanamine

N-[(4-fluoropyrrolidin-3-yl)methyl]cyclopropanamine (PubChem CID 23062073) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is N-[(4-fluoropyrrolidin-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-fluoropyrrolidin-3-yl)methyl]cyclopropanamine
PubChem CID23062073
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC NameN-[(4-fluoropyrrolidin-3-yl)methyl]cyclopropanamine
SMILESFC1CNCC1CNC1CC1
InChIInChI=1S/C8H15FN2/c9-8-5-10-3-6(8)4-11-7-1-2-7/h6-8,10-11H,1-5H2
InChIKeyQZFXTAVCZYQMQZ-UHFFFAOYSA-N
XLogP0.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-fluoropyrrolidin-3-yl)methyl]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-[(4-fluoropyrrolidin-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-fluoropyrrolidin-3-yl)methyl]cyclopropanamine (CID 23062073) is N-[(4-fluoropyrrolidin-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-fluoropyrrolidin-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-fluoropyrrolidin-3-yl)methyl]cyclopropanamine is FC1CNCC1CNC1CC1.
What is the InChIKey of N-[(4-fluoropyrrolidin-3-yl)methyl]cyclopropanamine?
The InChIKey is QZFXTAVCZYQMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c9-8-5-10-3-6(8)4-11-7-1-2-7/h6-8,10-11H,1-5H2.
What are the key properties of N-[(4-fluoropyrrolidin-3-yl)methyl]cyclopropanamine?
N-[(4-fluoropyrrolidin-3-yl)methyl]cyclopropanamine has a molecular weight of 158.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoropyrrolidin-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 23062073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).