N-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine

C11H21F3N2 — CID 106318606

IUPACN-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(CCCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-10(8-15-2)5-7-16(9-10)6-3-4-11(12,13)14/h15H,3-9H2,1-2H3
InChIKeyIINDTQMBAPWDEY-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.26
Rot. Bonds5

About N-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine

N-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine (PubChem CID 106318606) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine
PubChem CID106318606
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(CCCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-10(8-15-2)5-7-16(9-10)6-3-4-11(12,13)14/h15H,3-9H2,1-2H3
InChIKeyIINDTQMBAPWDEY-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-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine (CID 106318606) is N-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine is CNCC1(C)CCN(CCCC(F)(F)F)C1.
What is the InChIKey of N-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine?
The InChIKey is IINDTQMBAPWDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-10(8-15-2)5-7-16(9-10)6-3-4-11(12,13)14/h15H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine 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-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106318606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).