(1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine

C12H19N3 — CID 124501941

IUPAC(1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine
SMILESCc1cc(N2CCCC2)ncc1[C@H](C)N
InChIInChI=1S/C12H19N3/c1-9-7-12(15-5-3-4-6-15)14-8-11(9)10(2)13/h7-8,10H,3-6,13H2,1-2H3/t10-/m0/s1
InChIKeyAXHZTJHZLOUICX-JTQLQIEISA-N
MW205.31 g/mol
LogP2.01
Rot. Bonds2

About (1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine

(1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine (PubChem CID 124501941) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine
PubChem CID124501941
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine
SMILESCc1cc(N2CCCC2)ncc1[C@H](C)N
InChIInChI=1S/C12H19N3/c1-9-7-12(15-5-3-4-6-15)14-8-11(9)10(2)13/h7-8,10H,3-6,13H2,1-2H3/t10-/m0/s1
InChIKeyAXHZTJHZLOUICX-JTQLQIEISA-N
XLogP2.01
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine?
The IUPAC name of (1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine (CID 124501941) is (1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine?
The canonical SMILES for (1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine is Cc1cc(N2CCCC2)ncc1[C@H](C)N.
What is the InChIKey of (1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine?
The InChIKey is AXHZTJHZLOUICX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3/c1-9-7-12(15-5-3-4-6-15)14-8-11(9)10(2)13/h7-8,10H,3-6,13H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine?
(1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine has a molecular weight of 205.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine is sourced from PubChem (CID 124501941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).