1-methyl-N-[(1R,2R)-2-phenylcyclopentyl]pyrrolidin-2-imine;hydrochloride

C16H23ClN2 — CID 70609203

IUPAC1-methyl-N-[(1R,2R)-2-phenylcyclopentyl]pyrrolidin-2-imine;hydrochloride
SMILESCN1CCC/C1=N\[C@@H]1CCC[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C16H22N2.ClH/c1-18-12-6-11-16(18)17-15-10-5-9-14(15)13-7-3-2-4-8-13;/h2-4,7-8,14-15H,5-6,9-12H2,1H3;1H/b17-16+;/t14-,15-;/m1./s1
InChIKeyYXWUMDDTUUZCKB-JYYZBFGYSA-N
MW278.83 g/mol
LogP3.87
Rot. Bonds2

About 1-methyl-N-[(1R,2R)-2-phenylcyclopentyl]pyrrolidin-2-imine;hydrochloride

1-methyl-N-[(1R,2R)-2-phenylcyclopentyl]pyrrolidin-2-imine;hydrochloride (PubChem CID 70609203) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-methyl-N-[(1R,2R)-2-phenylcyclopentyl]pyrrolidin-2-imine;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-[(1R,2R)-2-phenylcyclopentyl]pyrrolidin-2-imine;hydrochloride
PubChem CID70609203
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-methyl-N-[(1R,2R)-2-phenylcyclopentyl]pyrrolidin-2-imine;hydrochloride
SMILESCN1CCC/C1=N\[C@@H]1CCC[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C16H22N2.ClH/c1-18-12-6-11-16(18)17-15-10-5-9-14(15)13-7-3-2-4-8-13;/h2-4,7-8,14-15H,5-6,9-12H2,1H3;1H/b17-16+;/t14-,15-;/m1./s1
InChIKeyYXWUMDDTUUZCKB-JYYZBFGYSA-N
XLogP3.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-methyl-N-[(1R,2R)-2-phenylcyclopentyl]pyrrolidin-2-imine;hydrochloride?
The IUPAC name of 1-methyl-N-[(1R,2R)-2-phenylcyclopentyl]pyrrolidin-2-imine;hydrochloride (CID 70609203) is 1-methyl-N-[(1R,2R)-2-phenylcyclopentyl]pyrrolidin-2-imine;hydrochloride.
What is the SMILES notation for 1-methyl-N-[(1R,2R)-2-phenylcyclopentyl]pyrrolidin-2-imine;hydrochloride?
The canonical SMILES for 1-methyl-N-[(1R,2R)-2-phenylcyclopentyl]pyrrolidin-2-imine;hydrochloride is CN1CCC/C1=N\[C@@H]1CCC[C@@H]1c1ccccc1.Cl.
What is the InChIKey of 1-methyl-N-[(1R,2R)-2-phenylcyclopentyl]pyrrolidin-2-imine;hydrochloride?
The InChIKey is YXWUMDDTUUZCKB-JYYZBFGYSA-N. The full InChI is InChI=1S/C16H22N2.ClH/c1-18-12-6-11-16(18)17-15-10-5-9-14(15)13-7-3-2-4-8-13;/h2-4,7-8,14-15H,5-6,9-12H2,1H3;1H/b17-16+;/t14-,15-;/m1./s1.
What are the key properties of 1-methyl-N-[(1R,2R)-2-phenylcyclopentyl]pyrrolidin-2-imine;hydrochloride?
1-methyl-N-[(1R,2R)-2-phenylcyclopentyl]pyrrolidin-2-imine;hydrochloride has a molecular weight of 278.83 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R,2R)-2-phenylcyclopentyl]pyrrolidin-2-imine;hydrochloride is sourced from PubChem (CID 70609203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).