N-[(1-fluorocyclopropyl)methyl]cyclopropanamine

C7H12FN — CID 126994044

IUPACN-[(1-fluorocyclopropyl)methyl]cyclopropanamine
SMILESFC1(CNC2CC2)CC1
InChIInChI=1S/C7H12FN/c8-7(3-4-7)5-9-6-1-2-6/h6,9H,1-5H2
InChIKeyPAYYHWDUWCGHIR-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.24
Rot. Bonds3

About N-[(1-fluorocyclopropyl)methyl]cyclopropanamine

N-[(1-fluorocyclopropyl)methyl]cyclopropanamine (PubChem CID 126994044) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is N-[(1-fluorocyclopropyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-fluorocyclopropyl)methyl]cyclopropanamine
PubChem CID126994044
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC NameN-[(1-fluorocyclopropyl)methyl]cyclopropanamine
SMILESFC1(CNC2CC2)CC1
InChIInChI=1S/C7H12FN/c8-7(3-4-7)5-9-6-1-2-6/h6,9H,1-5H2
InChIKeyPAYYHWDUWCGHIR-UHFFFAOYSA-N
XLogP1.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopropyl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-fluorocyclopropyl)methyl]cyclopropanamine (CID 126994044) is N-[(1-fluorocyclopropyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-fluorocyclopropyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-fluorocyclopropyl)methyl]cyclopropanamine is FC1(CNC2CC2)CC1.
What is the InChIKey of N-[(1-fluorocyclopropyl)methyl]cyclopropanamine?
The InChIKey is PAYYHWDUWCGHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c8-7(3-4-7)5-9-6-1-2-6/h6,9H,1-5H2.
What are the key properties of N-[(1-fluorocyclopropyl)methyl]cyclopropanamine?
N-[(1-fluorocyclopropyl)methyl]cyclopropanamine has a molecular weight of 129.18 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopropyl)methyl]cyclopropanamine is sourced from PubChem (CID 126994044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).