N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine

C17H29N3 — CID 83221223

IUPACN-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCC(C)N1c1ncccc1CNCC(C)C
InChIInChI=1S/C17H29N3/c1-5-16-9-8-14(4)20(16)17-15(7-6-10-19-17)12-18-11-13(2)3/h6-7,10,13-14,16,18H,5,8-9,11-12H2,1-4H3
InChIKeyGYFQIEYSMLAKJH-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.59
Rot. Bonds6

About N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 83221223) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID83221223
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCC(C)N1c1ncccc1CNCC(C)C
InChIInChI=1S/C17H29N3/c1-5-16-9-8-14(4)20(16)17-15(7-6-10-19-17)12-18-11-13(2)3/h6-7,10,13-14,16,18H,5,8-9,11-12H2,1-4H3
InChIKeyGYFQIEYSMLAKJH-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 83221223) is N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is CCC1CCC(C)N1c1ncccc1CNCC(C)C.
What is the InChIKey of N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is GYFQIEYSMLAKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-16-9-8-14(4)20(16)17-15(7-6-10-19-17)12-18-11-13(2)3/h6-7,10,13-14,16,18H,5,8-9,11-12H2,1-4H3.
What are the key properties of N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 83221223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).