N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine

C9H17FN2 — CID 167501159

IUPACN-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NC2(CF)CC2)C1
InChIInChI=1S/C9H17FN2/c1-12-5-2-8(6-12)11-9(7-10)3-4-9/h8,11H,2-7H2,1H3
InChIKeyXEYBKUMTFAJJDL-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.78
Rot. Bonds3

About N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine

N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine (PubChem CID 167501159) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine
PubChem CID167501159
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC NameN-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NC2(CF)CC2)C1
InChIInChI=1S/C9H17FN2/c1-12-5-2-8(6-12)11-9(7-10)3-4-9/h8,11H,2-7H2,1H3
InChIKeyXEYBKUMTFAJJDL-UHFFFAOYSA-N
XLogP0.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine (CID 167501159) is N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine is CN1CCC(NC2(CF)CC2)C1.
What is the InChIKey of N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine?
The InChIKey is XEYBKUMTFAJJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-12-5-2-8(6-12)11-9(7-10)3-4-9/h8,11H,2-7H2,1H3.
What are the key properties of N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine?
N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine has a molecular weight of 172.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 167501159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).