(2S,5R)-2,5-dimethylpyrrolidin-1-amine

C6H14N2 — CID 67681327

IUPAC(2S,5R)-2,5-dimethylpyrrolidin-1-amine
SMILESC[C@@H]1CC[C@H](C)N1N
InChIInChI=1S/C6H14N2/c1-5-3-4-6(2)8(5)7/h5-6H,3-4,7H2,1-2H3/t5-,6+
InChIKeyJAOYAXFZIAGXFI-OLQVQODUSA-N
MW114.19 g/mol
LogP0.73
Rot. Bonds

About (2S,5R)-2,5-dimethylpyrrolidin-1-amine

(2S,5R)-2,5-dimethylpyrrolidin-1-amine (PubChem CID 67681327) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethylpyrrolidin-1-amine.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethylpyrrolidin-1-amine
PubChem CID67681327
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(2S,5R)-2,5-dimethylpyrrolidin-1-amine
SMILESC[C@@H]1CC[C@H](C)N1N
InChIInChI=1S/C6H14N2/c1-5-3-4-6(2)8(5)7/h5-6H,3-4,7H2,1-2H3/t5-,6+
InChIKeyJAOYAXFZIAGXFI-OLQVQODUSA-N
XLogP0.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethylpyrrolidin-1-amine?
The IUPAC name of (2S,5R)-2,5-dimethylpyrrolidin-1-amine (CID 67681327) is (2S,5R)-2,5-dimethylpyrrolidin-1-amine.
What is the SMILES notation for (2S,5R)-2,5-dimethylpyrrolidin-1-amine?
The canonical SMILES for (2S,5R)-2,5-dimethylpyrrolidin-1-amine is C[C@@H]1CC[C@H](C)N1N.
What is the InChIKey of (2S,5R)-2,5-dimethylpyrrolidin-1-amine?
The InChIKey is JAOYAXFZIAGXFI-OLQVQODUSA-N. The full InChI is InChI=1S/C6H14N2/c1-5-3-4-6(2)8(5)7/h5-6H,3-4,7H2,1-2H3/t5-,6+.
What are the key properties of (2S,5R)-2,5-dimethylpyrrolidin-1-amine?
(2S,5R)-2,5-dimethylpyrrolidin-1-amine has a molecular weight of 114.19 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethylpyrrolidin-1-amine is sourced from PubChem (CID 67681327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).