N-[(3-propylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C13H23F3N2 — CID 63142849

IUPACN-[(3-propylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCCC1(CN(CC(F)(F)F)C2CC2)CCNC1
InChIInChI=1S/C13H23F3N2/c1-2-5-12(6-7-17-8-12)9-18(11-3-4-11)10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyZZXYGJUBCNHHKY-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.79
Rot. Bonds6

About N-[(3-propylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[(3-propylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 63142849) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(3-propylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3-propylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID63142849
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC NameN-[(3-propylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCCC1(CN(CC(F)(F)F)C2CC2)CCNC1
InChIInChI=1S/C13H23F3N2/c1-2-5-12(6-7-17-8-12)9-18(11-3-4-11)10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyZZXYGJUBCNHHKY-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[(3-propylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 63142849) is N-[(3-propylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[(3-propylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[(3-propylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CCCC1(CN(CC(F)(F)F)C2CC2)CCNC1.
What is the InChIKey of N-[(3-propylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is ZZXYGJUBCNHHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-2-5-12(6-7-17-8-12)9-18(11-3-4-11)10-13(14,15)16/h11,17H,2-10H2,1H3.
What are the key properties of N-[(3-propylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[(3-propylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 264.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 63142849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).