N-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline

C16H27N3 — CID 55081287

IUPACN-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline
SMILESCNCC1CCN(CCCN(C)c2ccccc2)C1
InChIInChI=1S/C16H27N3/c1-17-13-15-9-12-19(14-15)11-6-10-18(2)16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3
InChIKeyIJSLMBZXVLOVKO-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.05
Rot. Bonds7

About N-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline

N-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline (PubChem CID 55081287) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline
PubChem CID55081287
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline
SMILESCNCC1CCN(CCCN(C)c2ccccc2)C1
InChIInChI=1S/C16H27N3/c1-17-13-15-9-12-19(14-15)11-6-10-18(2)16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3
InChIKeyIJSLMBZXVLOVKO-UHFFFAOYSA-N
XLogP2.05
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline?
The IUPAC name of N-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline (CID 55081287) is N-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline.
What is the SMILES notation for N-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline?
The canonical SMILES for N-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline is CNCC1CCN(CCCN(C)c2ccccc2)C1.
What is the InChIKey of N-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline?
The InChIKey is IJSLMBZXVLOVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-17-13-15-9-12-19(14-15)11-6-10-18(2)16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3.
What are the key properties of N-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline?
N-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline has a molecular weight of 261.41 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[3-(methylaminomethyl)pyrrolidin-1-yl]propyl]aniline is sourced from PubChem (CID 55081287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).