N-[[6-(difluoromethyl)-1,2-dihydropyridin-3-yl]methyl]cyclopropanamine

C10H14F2N2 — CID 118889318

IUPACN-[[6-(difluoromethyl)-1,2-dihydropyridin-3-yl]methyl]cyclopropanamine
SMILESFC(F)C1=CC=C(CNC2CC2)CN1
InChIInChI=1S/C10H14F2N2/c11-10(12)9-4-1-7(6-14-9)5-13-8-2-3-8/h1,4,8,10,13-14H,2-3,5-6H2
InChIKeyMVTBMEQSMZCFMY-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.42
Rot. Bonds4

About N-[[6-(difluoromethyl)-1,2-dihydropyridin-3-yl]methyl]cyclopropanamine

N-[[6-(difluoromethyl)-1,2-dihydropyridin-3-yl]methyl]cyclopropanamine (PubChem CID 118889318) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is N-[[6-(difluoromethyl)-1,2-dihydropyridin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(difluoromethyl)-1,2-dihydropyridin-3-yl]methyl]cyclopropanamine
PubChem CID118889318
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC NameN-[[6-(difluoromethyl)-1,2-dihydropyridin-3-yl]methyl]cyclopropanamine
SMILESFC(F)C1=CC=C(CNC2CC2)CN1
InChIInChI=1S/C10H14F2N2/c11-10(12)9-4-1-7(6-14-9)5-13-8-2-3-8/h1,4,8,10,13-14H,2-3,5-6H2
InChIKeyMVTBMEQSMZCFMY-UHFFFAOYSA-N
XLogP1.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(difluoromethyl)-1,2-dihydropyridin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(difluoromethyl)-1,2-dihydropyridin-3-yl]methyl]cyclopropanamine (CID 118889318) is N-[[6-(difluoromethyl)-1,2-dihydropyridin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(difluoromethyl)-1,2-dihydropyridin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(difluoromethyl)-1,2-dihydropyridin-3-yl]methyl]cyclopropanamine is FC(F)C1=CC=C(CNC2CC2)CN1.
What is the InChIKey of N-[[6-(difluoromethyl)-1,2-dihydropyridin-3-yl]methyl]cyclopropanamine?
The InChIKey is MVTBMEQSMZCFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c11-10(12)9-4-1-7(6-14-9)5-13-8-2-3-8/h1,4,8,10,13-14H,2-3,5-6H2.
What are the key properties of N-[[6-(difluoromethyl)-1,2-dihydropyridin-3-yl]methyl]cyclopropanamine?
N-[[6-(difluoromethyl)-1,2-dihydropyridin-3-yl]methyl]cyclopropanamine has a molecular weight of 200.23 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(difluoromethyl)-1,2-dihydropyridin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 118889318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).