1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine

C17H27N3 — CID 80636278

IUPAC1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCCC2C2CCCC2)c(C)c1
InChIInChI=1S/C17H27N3/c1-13-10-14(11-18-2)12-19-17(13)20-9-5-8-16(20)15-6-3-4-7-15/h10,12,15-16,18H,3-9,11H2,1-2H3
InChIKeyUDGUYGZUDNTQCR-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.27
Rot. Bonds4

About 1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine

1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 80636278) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
PubChem CID80636278
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCCC2C2CCCC2)c(C)c1
InChIInChI=1S/C17H27N3/c1-13-10-14(11-18-2)12-19-17(13)20-9-5-8-16(20)15-6-3-4-7-15/h10,12,15-16,18H,3-9,11H2,1-2H3
InChIKeyUDGUYGZUDNTQCR-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80638431
(4aR,8aR)-1-[5-(chloromethyl)-3-methyl-2-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727193
[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 80636209
N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 82752931
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 82749684
N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine
CID 81200310
N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine
CID 102728376
2-methyl-N-[[5-methyl-6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80629769
N-[[6-(2-ethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80630583
2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80629274
1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635442
1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670475

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine (CID 80636278) is 1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(N2CCCC2C2CCCC2)c(C)c1.
What is the InChIKey of 1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is UDGUYGZUDNTQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13-10-14(11-18-2)12-19-17(13)20-9-5-8-16(20)15-6-3-4-7-15/h10,12,15-16,18H,3-9,11H2,1-2H3.
What are the key properties of 1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 273.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 80636278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).