N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine

C17H28N2 — CID 65486941

IUPACN-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCCC1(CN(C)CCc2ccccc2)CCNC1
InChIInChI=1S/C17H28N2/c1-3-10-17(11-12-18-14-17)15-19(2)13-9-16-7-5-4-6-8-16/h4-8,18H,3,9-15H2,1-2H3
InChIKeyGGNDBISGDWFVLX-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.94
Rot. Bonds7

About N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine

N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 65486941) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID65486941
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCCC1(CN(C)CCc2ccccc2)CCNC1
InChIInChI=1S/C17H28N2/c1-3-10-17(11-12-18-14-17)15-19(2)13-9-16-7-5-4-6-8-16/h4-8,18H,3,9-15H2,1-2H3
InChIKeyGGNDBISGDWFVLX-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine (CID 65486941) is N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine is CCCC1(CN(C)CCc2ccccc2)CCNC1.
What is the InChIKey of N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is GGNDBISGDWFVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-10-17(11-12-18-14-17)15-19(2)13-9-16-7-5-4-6-8-16/h4-8,18H,3,9-15H2,1-2H3.
What are the key properties of N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine?
N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 65486941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).