N-[[5-(fluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine

C10H15FN2 — CID 118889348

IUPACN-[[5-(fluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine
SMILESFCC1=CNC(CNC2CC2)C=C1
InChIInChI=1S/C10H15FN2/c11-5-8-1-2-10(12-6-8)7-13-9-3-4-9/h1-2,6,9-10,12-13H,3-5,7H2
InChIKeyIZWKPVFRVIXQRC-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.12
Rot. Bonds4

About N-[[5-(fluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine

N-[[5-(fluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine (PubChem CID 118889348) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is N-[[5-(fluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(fluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine
PubChem CID118889348
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC NameN-[[5-(fluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine
SMILESFCC1=CNC(CNC2CC2)C=C1
InChIInChI=1S/C10H15FN2/c11-5-8-1-2-10(12-6-8)7-13-9-3-4-9/h1-2,6,9-10,12-13H,3-5,7H2
InChIKeyIZWKPVFRVIXQRC-UHFFFAOYSA-N
XLogP1.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(fluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(fluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine (CID 118889348) is N-[[5-(fluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(fluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(fluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine is FCC1=CNC(CNC2CC2)C=C1.
What is the InChIKey of N-[[5-(fluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine?
The InChIKey is IZWKPVFRVIXQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c11-5-8-1-2-10(12-6-8)7-13-9-3-4-9/h1-2,6,9-10,12-13H,3-5,7H2.
What are the key properties of N-[[5-(fluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine?
N-[[5-(fluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine has a molecular weight of 182.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(fluoromethyl)-1,2-dihydropyridin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 118889348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).