[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine

C12H19N3 — CID 93096967

IUPAC[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine
SMILESC[C@@H](c1ccccn1)N1CC[C@H](CN)C1
InChIInChI=1S/C12H19N3/c1-10(12-4-2-3-6-14-12)15-7-5-11(8-13)9-15/h2-4,6,10-11H,5,7-9,13H2,1H3/t10-,11+/m0/s1
InChIKeyCCRHYKVWDFJYEC-WDEREUQCSA-N
MW205.31 g/mol
LogP1.42
Rot. Bonds3

About [(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine

[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine (PubChem CID 93096967) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is [(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine
PubChem CID93096967
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine
SMILESC[C@@H](c1ccccn1)N1CC[C@H](CN)C1
InChIInChI=1S/C12H19N3/c1-10(12-4-2-3-6-14-12)15-7-5-11(8-13)9-15/h2-4,6,10-11H,5,7-9,13H2,1H3/t10-,11+/m0/s1
InChIKeyCCRHYKVWDFJYEC-WDEREUQCSA-N
XLogP1.42
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine (CID 93096967) is [(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine is C[C@@H](c1ccccn1)N1CC[C@H](CN)C1.
What is the InChIKey of [(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is CCRHYKVWDFJYEC-WDEREUQCSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(12-4-2-3-6-14-12)15-7-5-11(8-13)9-15/h2-4,6,10-11H,5,7-9,13H2,1H3/t10-,11+/m0/s1.
What are the key properties of [(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine?
[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 205.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 93096967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).