(E)-N-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylpropan-1-imine

C15H22N2 — CID 11241711

IUPAC(E)-N-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylpropan-1-imine
SMILESC[C@@H]1CC[C@@H](C)N1/N=C/CCc1ccccc1
InChIInChI=1S/C15H22N2/c1-13-10-11-14(2)17(13)16-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,12-14H,6,9-11H2,1-2H3/b16-12+/t13-,14-/m1/s1
InChIKeyDLDYMIAJUVKFKK-WLGVDNMXSA-N
MW230.35 g/mol
LogP3.48
Rot. Bonds4

About (E)-N-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylpropan-1-imine

(E)-N-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylpropan-1-imine (PubChem CID 11241711) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (E)-N-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylpropan-1-imine.

Molecular Properties

Compound Name(E)-N-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylpropan-1-imine
PubChem CID11241711
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(E)-N-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylpropan-1-imine
SMILESC[C@@H]1CC[C@@H](C)N1/N=C/CCc1ccccc1
InChIInChI=1S/C15H22N2/c1-13-10-11-14(2)17(13)16-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,12-14H,6,9-11H2,1-2H3/b16-12+/t13-,14-/m1/s1
InChIKeyDLDYMIAJUVKFKK-WLGVDNMXSA-N
XLogP3.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylpropan-1-imine?
The IUPAC name of (E)-N-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylpropan-1-imine (CID 11241711) is (E)-N-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylpropan-1-imine.
What is the SMILES notation for (E)-N-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylpropan-1-imine?
The canonical SMILES for (E)-N-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylpropan-1-imine is C[C@@H]1CC[C@@H](C)N1/N=C/CCc1ccccc1.
What is the InChIKey of (E)-N-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylpropan-1-imine?
The InChIKey is DLDYMIAJUVKFKK-WLGVDNMXSA-N. The full InChI is InChI=1S/C15H22N2/c1-13-10-11-14(2)17(13)16-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,12-14H,6,9-11H2,1-2H3/b16-12+/t13-,14-/m1/s1.
What are the key properties of (E)-N-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylpropan-1-imine?
(E)-N-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylpropan-1-imine has a molecular weight of 230.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylpropan-1-imine is sourced from PubChem (CID 11241711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).