[(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine

C7H16N2 — CID 15729391

IUPAC[(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine
SMILESCC[C@H]1CNC[C@@H]1CN
InChIInChI=1S/C7H16N2/c1-2-6-4-9-5-7(6)3-8/h6-7,9H,2-5,8H2,1H3/t6-,7-/m0/s1
InChIKeyPDSAEJNMTLMYNJ-BQBZGAKWSA-N
MW128.22 g/mol
LogP0.19
Rot. Bonds2

About [(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine

[(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine (PubChem CID 15729391) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is [(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine
PubChem CID15729391
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name[(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine
SMILESCC[C@H]1CNC[C@@H]1CN
InChIInChI=1S/C7H16N2/c1-2-6-4-9-5-7(6)3-8/h6-7,9H,2-5,8H2,1H3/t6-,7-/m0/s1
InChIKeyPDSAEJNMTLMYNJ-BQBZGAKWSA-N
XLogP0.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine (CID 15729391) is [(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine is CC[C@H]1CNC[C@@H]1CN.
What is the InChIKey of [(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine?
The InChIKey is PDSAEJNMTLMYNJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H16N2/c1-2-6-4-9-5-7(6)3-8/h6-7,9H,2-5,8H2,1H3/t6-,7-/m0/s1.
What are the key properties of [(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine?
[(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine has a molecular weight of 128.22 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-ethylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 15729391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).