[(2S,3R)-2-(2,3-dihydropyridin-3-yl)pyrrolidin-3-yl]methanamine

C10H17N3 — CID 149289144

IUPAC[(2S,3R)-2-(2,3-dihydropyridin-3-yl)pyrrolidin-3-yl]methanamine
SMILESNC[C@H]1CCN[C@@H]1C1C=CC=NC1
InChIInChI=1S/C10H17N3/c11-6-8-3-5-13-10(8)9-2-1-4-12-7-9/h1-2,4,8-10,13H,3,5-7,11H2/t8-,9?,10+/m1/s1
InChIKeyXUMMOHXUCVZGDS-FIBVVXLUSA-N
MW179.27 g/mol
LogP0.18
Rot. Bonds2

About [(2S,3R)-2-(2,3-dihydropyridin-3-yl)pyrrolidin-3-yl]methanamine

[(2S,3R)-2-(2,3-dihydropyridin-3-yl)pyrrolidin-3-yl]methanamine (PubChem CID 149289144) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is [(2S,3R)-2-(2,3-dihydropyridin-3-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(2S,3R)-2-(2,3-dihydropyridin-3-yl)pyrrolidin-3-yl]methanamine
PubChem CID149289144
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name[(2S,3R)-2-(2,3-dihydropyridin-3-yl)pyrrolidin-3-yl]methanamine
SMILESNC[C@H]1CCN[C@@H]1C1C=CC=NC1
InChIInChI=1S/C10H17N3/c11-6-8-3-5-13-10(8)9-2-1-4-12-7-9/h1-2,4,8-10,13H,3,5-7,11H2/t8-,9?,10+/m1/s1
InChIKeyXUMMOHXUCVZGDS-FIBVVXLUSA-N
XLogP0.18
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-(2,3-dihydropyridin-3-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [(2S,3R)-2-(2,3-dihydropyridin-3-yl)pyrrolidin-3-yl]methanamine (CID 149289144) is [(2S,3R)-2-(2,3-dihydropyridin-3-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(2S,3R)-2-(2,3-dihydropyridin-3-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(2S,3R)-2-(2,3-dihydropyridin-3-yl)pyrrolidin-3-yl]methanamine is NC[C@H]1CCN[C@@H]1C1C=CC=NC1.
What is the InChIKey of [(2S,3R)-2-(2,3-dihydropyridin-3-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is XUMMOHXUCVZGDS-FIBVVXLUSA-N. The full InChI is InChI=1S/C10H17N3/c11-6-8-3-5-13-10(8)9-2-1-4-12-7-9/h1-2,4,8-10,13H,3,5-7,11H2/t8-,9?,10+/m1/s1.
What are the key properties of [(2S,3R)-2-(2,3-dihydropyridin-3-yl)pyrrolidin-3-yl]methanamine?
[(2S,3R)-2-(2,3-dihydropyridin-3-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 179.27 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-(2,3-dihydropyridin-3-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 149289144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).