N-[(3,3-difluorocyclopentyl)methyl]-1-methylazetidin-3-amine

C10H18F2N2 — CID 130637998

IUPACN-[(3,3-difluorocyclopentyl)methyl]-1-methylazetidin-3-amine
SMILESCN1CC(NCC2CCC(F)(F)C2)C1
InChIInChI=1S/C10H18F2N2/c1-14-6-9(7-14)13-5-8-2-3-10(11,12)4-8/h8-9,13H,2-7H2,1H3
InChIKeyFAURAZYCLYQKFM-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.33
Rot. Bonds3

About N-[(3,3-difluorocyclopentyl)methyl]-1-methylazetidin-3-amine

N-[(3,3-difluorocyclopentyl)methyl]-1-methylazetidin-3-amine (PubChem CID 130637998) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is N-[(3,3-difluorocyclopentyl)methyl]-1-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclopentyl)methyl]-1-methylazetidin-3-amine
PubChem CID130637998
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC NameN-[(3,3-difluorocyclopentyl)methyl]-1-methylazetidin-3-amine
SMILESCN1CC(NCC2CCC(F)(F)C2)C1
InChIInChI=1S/C10H18F2N2/c1-14-6-9(7-14)13-5-8-2-3-10(11,12)4-8/h8-9,13H,2-7H2,1H3
InChIKeyFAURAZYCLYQKFM-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]-1-methylazetidin-3-amine?
The IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]-1-methylazetidin-3-amine (CID 130637998) is N-[(3,3-difluorocyclopentyl)methyl]-1-methylazetidin-3-amine.
What is the SMILES notation for N-[(3,3-difluorocyclopentyl)methyl]-1-methylazetidin-3-amine?
The canonical SMILES for N-[(3,3-difluorocyclopentyl)methyl]-1-methylazetidin-3-amine is CN1CC(NCC2CCC(F)(F)C2)C1.
What is the InChIKey of N-[(3,3-difluorocyclopentyl)methyl]-1-methylazetidin-3-amine?
The InChIKey is FAURAZYCLYQKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-14-6-9(7-14)13-5-8-2-3-10(11,12)4-8/h8-9,13H,2-7H2,1H3.
What are the key properties of N-[(3,3-difluorocyclopentyl)methyl]-1-methylazetidin-3-amine?
N-[(3,3-difluorocyclopentyl)methyl]-1-methylazetidin-3-amine has a molecular weight of 204.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclopentyl)methyl]-1-methylazetidin-3-amine is sourced from PubChem (CID 130637998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).