N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H21F3N2 — CID 63142900

IUPACN-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC(F)(F)F)CC1(C)CCNC1
InChIInChI=1S/C11H21F3N2/c1-3-6-16(9-11(12,13)14)8-10(2)4-5-15-7-10/h15H,3-9H2,1-2H3
InChIKeyZIVGSCNAIBZVKR-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.26
Rot. Bonds5

About N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 63142900) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID63142900
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC(F)(F)F)CC1(C)CCNC1
InChIInChI=1S/C11H21F3N2/c1-3-6-16(9-11(12,13)14)8-10(2)4-5-15-7-10/h15H,3-9H2,1-2H3
InChIKeyZIVGSCNAIBZVKR-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 63142900) is N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(CC(F)(F)F)CC1(C)CCNC1.
What is the InChIKey of N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is ZIVGSCNAIBZVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-3-6-16(9-11(12,13)14)8-10(2)4-5-15-7-10/h15H,3-9H2,1-2H3.
What are the key properties of N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 238.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 63142900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).